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2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 | import entrypoint_setup
import os
import tkinter as tk
import argparse
import base64
import json
import queue
import subprocess
import sys
import traceback
import webbrowser
from types import SimpleNamespace
from tkinter import ttk, messagebox, filedialog
from concurrent.futures import ThreadPoolExecutor
from base_models.get_base_models import BaseModelArguments, standard_models
from data.supported_datasets import supported_datasets, standard_data_benchmark, internal_datasets
from embedder import EmbeddingArguments
from probes.get_probe import ProbeArguments
from probes.trainers import TrainerArguments
from main import MainProcess
from data.data_mixin import DataArguments
from modal_utils import parse_modal_api_key
from utils import print_message, print_done, print_title, expand_dms_ids_all
from visualization.plot_result import create_plots
from benchmarks.proteingym.compare_scoring_methods import compare_scoring_methods
from hyperopt_utils import HyperoptModule
class BackgroundTask:
def __init__(self, target, *args, **kwargs):
self.target = target
self.args = args
self.kwargs = kwargs
self.result = None
self.error = None
self._complete = False
def run(self):
try:
self.result = self.target(*self.args, **self.kwargs)
except Exception as e:
self.error = e
print_message(f"Error in background task: {str(e)}")
traceback.print_exc()
finally:
self._complete = True
@property
def complete(self):
return self._complete
class GUI(MainProcess):
def __init__(self, master):
super().__init__(argparse.Namespace(), GUI=True) # Initialize MainProcess with empty namespace
self.master = master
self.master.title("Settings GUI")
self.master.geometry("600x800")
icon = tk.PhotoImage(file="protify_logo.png")
# Set the window icon
self.master.iconphoto(True, icon)
# Dictionary to store Tkinter variables for settings
self.settings_vars = {}
# Create the Notebook widget
self.notebook = ttk.Notebook(master)
self.notebook.pack(fill='both', expand=True)
# Create frames for each settings tab
self.info_tab = ttk.Frame(self.notebook)
self.data_tab = ttk.Frame(self.notebook)
self.embed_tab = ttk.Frame(self.notebook)
self.model_tab = ttk.Frame(self.notebook)
self.probe_tab = ttk.Frame(self.notebook)
self.trainer_tab = ttk.Frame(self.notebook)
self.wandb_tab = ttk.Frame(self.notebook)
self.modal_tab = ttk.Frame(self.notebook)
self.scikit_tab = ttk.Frame(self.notebook)
self.replay_tab = ttk.Frame(self.notebook)
self.viz_tab = ttk.Frame(self.notebook)
self.proteingym_tab = ttk.Frame(self.notebook)
# Add tabs to the notebook
self.notebook.add(self.info_tab, text="Info")
self.notebook.add(self.model_tab, text="Model")
self.notebook.add(self.data_tab, text="Data")
self.notebook.add(self.embed_tab, text="Embedding")
self.notebook.add(self.probe_tab, text="Probe")
self.notebook.add(self.trainer_tab, text="Trainer")
self.notebook.add(self.wandb_tab, text="W&B Sweep")
self.notebook.add(self.modal_tab, text="Modal")
self.notebook.add(self.proteingym_tab, text="ProteinGym")
self.notebook.add(self.scikit_tab, text="Scikit")
self.notebook.add(self.replay_tab, text="Replay")
self.notebook.add(self.viz_tab, text="Visualization")
# Build these lines
self.task_queue = queue.Queue()
self.thread_pool = ThreadPoolExecutor(max_workers=1)
self.current_task = None
self.modal_polling_active = False
# Start the queue checker
self.check_task_queue()
# Build each tab
self.build_info_tab()
self.build_model_tab()
self.build_data_tab()
self.build_embed_tab()
self.build_probe_tab()
self.build_trainer_tab()
self.build_wandb_tab()
self.build_modal_tab()
self.build_proteingym_tab()
self.build_scikit_tab()
self.build_replay_tab()
self.build_viz_tab()
def check_task_queue(self):
"""Periodically check for completed background tasks"""
if self.current_task and self.current_task.complete:
if self.current_task.error:
print_message(f"Task failed: {self.current_task.error}")
self.current_task = None
if not self.current_task and not self.task_queue.empty():
self.current_task = self.task_queue.get()
self.thread_pool.submit(self.current_task.run)
# Schedule next check
self.master.after(100, self.check_task_queue)
def run_in_background(self, target, *args, **kwargs):
"""Queue a task to run in background"""
task = BackgroundTask(target, *args, **kwargs)
self.task_queue.put(task)
return task
def _open_url(self, url):
"""Open a URL in the default web browser"""
webbrowser.open_new_tab(url)
def build_info_tab(self):
# Create a frame for IDs
id_frame = ttk.LabelFrame(self.info_tab, text="Identification")
id_frame.pack(fill="x", padx=10, pady=5)
# Huggingface Username
ttk.Label(id_frame, text="Huggingface Username:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["huggingface_username"] = tk.StringVar(value="Synthyra")
entry_huggingface_username = ttk.Entry(id_frame, textvariable=self.settings_vars["huggingface_username"], width=30)
entry_huggingface_username.grid(row=0, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 0, 2, "Your Hugging Face username for model downloads and uploads.")
# Huggingface token
ttk.Label(id_frame, text="Huggingface Token:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["huggingface_token"] = tk.StringVar(value="")
entry_huggingface_token = ttk.Entry(id_frame, textvariable=self.settings_vars["huggingface_token"], width=30)
entry_huggingface_token.grid(row=1, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 1, 2, "Your Hugging Face API token for accessing gated or private models.")
# Wandb API key
ttk.Label(id_frame, text="Wandb API Key:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["wandb_api_key"] = tk.StringVar(value="")
entry_wandb_api_key = ttk.Entry(id_frame, textvariable=self.settings_vars["wandb_api_key"], width=30)
entry_wandb_api_key.grid(row=2, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 2, 2, "Your Weights & Biases API key for experiment tracking.")
# Synthyra API key
ttk.Label(id_frame, text="Synthyra API Key:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["synthyra_api_key"] = tk.StringVar(value="")
entry_synthyra_api_key = ttk.Entry(id_frame, textvariable=self.settings_vars["synthyra_api_key"], width=30)
entry_synthyra_api_key.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 3, 2, "Your Synthyra API key for accessing premium features.")
# Backward-compatible Modal API key
ttk.Label(id_frame, text="Modal API Key (legacy):").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_api_key"] = tk.StringVar(value="")
entry_modal_api_key = ttk.Entry(id_frame, textvariable=self.settings_vars["modal_api_key"], width=30, show="*")
entry_modal_api_key.grid(row=4, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 4, 2, "Legacy format '<modal_token_id>:<modal_token_secret>'.")
# Modal token ID
ttk.Label(id_frame, text="Modal Token ID:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_token_id"] = tk.StringVar(value="")
entry_modal_token_id = ttk.Entry(id_frame, textvariable=self.settings_vars["modal_token_id"], width=30)
entry_modal_token_id.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 5, 2, "Modal token ID used for CLI/SDK authentication.")
# Modal token secret
ttk.Label(id_frame, text="Modal Token Secret:").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_token_secret"] = tk.StringVar(value="")
entry_modal_token_secret = ttk.Entry(id_frame, textvariable=self.settings_vars["modal_token_secret"], width=30, show="*")
entry_modal_token_secret.grid(row=6, column=1, padx=10, pady=5)
self.add_help_button(id_frame, 6, 2, "Modal token secret used for CLI/SDK authentication.")
# Create a frame for paths
paths_frame = ttk.LabelFrame(self.info_tab, text="Paths")
paths_frame.pack(fill="x", padx=10, pady=5)
ttk.Label(paths_frame, text='Home Directory:').grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["home_dir"] = tk.StringVar(value=os.getcwd())
entry_home_dir = ttk.Entry(paths_frame, textvariable=self.settings_vars["home_dir"], width=30)
entry_home_dir.grid(row=0, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 0, 2, "Home directory for Protify.")
# HF Home directory
ttk.Label(paths_frame, text="HF Home Directory:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["hf_home"] = tk.StringVar(value="")
entry_hf_home = ttk.Entry(paths_frame, textvariable=self.settings_vars["hf_home"], width=30)
entry_hf_home.grid(row=1, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 1, 2, "Customize the HuggingFace cache directory. Leave empty to use default.")
# Log directory
ttk.Label(paths_frame, text="Log Directory:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["log_dir"] = tk.StringVar(value="logs")
entry_log_dir = ttk.Entry(paths_frame, textvariable=self.settings_vars["log_dir"], width=30)
entry_log_dir.grid(row=2, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 2, 2, "Directory where log files will be stored.")
# Results directory
ttk.Label(paths_frame, text="Results Directory:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["results_dir"] = tk.StringVar(value="results")
entry_results_dir = ttk.Entry(paths_frame, textvariable=self.settings_vars["results_dir"], width=30)
entry_results_dir.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 3, 2, "Directory where results data will be stored.")
# Model save directory
ttk.Label(paths_frame, text="Model Save Directory:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["model_save_dir"] = tk.StringVar(value="weights")
entry_model_save = ttk.Entry(paths_frame, textvariable=self.settings_vars["model_save_dir"], width=30)
entry_model_save.grid(row=4, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 4, 2, "Directory where trained models will be saved.")
ttk.Label(paths_frame, text="Plots Directory:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["plots_dir"] = tk.StringVar(value="plots")
entry_plots_dir = ttk.Entry(paths_frame, textvariable=self.settings_vars["plots_dir"], width=30)
entry_plots_dir.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 5, 2, "Directory where plots and visualizations will be saved.")
# Embedding save directory
ttk.Label(paths_frame, text="Embedding Save Directory:").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["embedding_save_dir"] = tk.StringVar(value="embeddings")
entry_embed_save = ttk.Entry(paths_frame, textvariable=self.settings_vars["embedding_save_dir"], width=30)
entry_embed_save.grid(row=6, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 6, 2, "Directory where computed embeddings will be saved.")
# Download directory
ttk.Label(paths_frame, text="Download Directory:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["download_dir"] = tk.StringVar(value="Synthyra/vector_embeddings")
entry_download = ttk.Entry(paths_frame, textvariable=self.settings_vars["download_dir"], width=30)
entry_download.grid(row=7, column=1, padx=10, pady=5)
self.add_help_button(paths_frame, 7, 2, "HuggingFace repository path for downloading pre-computed embeddings.")
# button to start logging
start_logging_button = ttk.Button(self.info_tab, text="Start session", command=self._session_start)
start_logging_button.pack(pady=10)
# Add logo and website link at the bottom of the info tab
try:
original_logo = tk.PhotoImage(file="synthyra_logo.png")
# Make logo even smaller (subsample by factor of 3)
logo = original_logo.subsample(3, 3)
# Create frame to hold logo and button side by side
bottom_frame = ttk.Frame(self.info_tab)
bottom_frame.pack(pady=(10, 20), fill="x")
# Place logo on the left side
logo_label = ttk.Label(bottom_frame, image=logo, cursor="hand2")
logo_label.image = logo # Keep a reference to prevent garbage collection
logo_label.pack(side=tk.LEFT, padx=(20, 10))
# Bind click event to the logo
logo_label.bind("<Button-1>", lambda e: self._open_url("https://synthyra.com"))
# Add a "Visit Website" button on the right side
visit_btn = ttk.Button(
bottom_frame,
text="Visit Synthyra.com",
command=lambda: self._open_url("https://synthyra.com"),
style="Link.TButton"
)
# Create a special style for the link button
style = ttk.Style()
style.configure("Link.TButton", font=("Helvetica", 12), foreground="blue")
visit_btn.pack(side=tk.LEFT, padx=(10, 20), pady=10)
except Exception as e:
print_message(f"Error setting up logo and link: {str(e)}")
def build_model_tab(self):
ttk.Label(self.model_tab, text="Model Names:").grid(row=0, column=0, padx=10, pady=5, sticky="nw")
self.model_listbox = tk.Listbox(self.model_tab, selectmode="extended", height=24)
for model_name in standard_models:
self.model_listbox.insert(tk.END, model_name)
self.model_listbox.grid(row=0, column=1, padx=10, pady=5, sticky="nw")
self.add_help_button(self.model_tab, 0, 2, "Select the language models to use for embedding. Multiple models can be selected.")
ttk.Label(self.model_tab, text="Model DType:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["model_dtype"] = tk.StringVar(value="bf16")
combo_model_dtype = ttk.Combobox(
self.model_tab,
textvariable=self.settings_vars["model_dtype"],
values=["fp32", "fp16", "bf16", "float32", "float16", "bfloat16"],
state="readonly",
)
combo_model_dtype.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.model_tab, 1, 2, "Data type used when loading base models.")
ttk.Label(self.model_tab, text="Use xformers:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["use_xformers"] = tk.BooleanVar(value=False)
check_use_xformers = ttk.Checkbutton(self.model_tab, variable=self.settings_vars["use_xformers"])
check_use_xformers.grid(row=2, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.model_tab, 2, 2, "Enable memory-efficient xformers attention where supported.")
run_button = ttk.Button(self.model_tab, text="Select Models", command=self._select_models)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_data_tab(self):
ttk.Label(self.data_tab, text="Max Sequence Length:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["max_length"] = tk.IntVar(value=2048)
spin_max_length = ttk.Spinbox(self.data_tab, from_=1, to=32768, textvariable=self.settings_vars["max_length"])
spin_max_length.grid(row=0, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 0, 2, "Maximum length of sequences (in tokens) to process.")
ttk.Label(self.data_tab, text="Trim Sequences:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["trim"] = tk.BooleanVar(value=False)
check_trim = ttk.Checkbutton(self.data_tab, variable=self.settings_vars["trim"])
check_trim.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 1, 2, "Whether to trim sequences to the specified max length.")
ttk.Label(self.data_tab, text="Delimiter:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["delimiter"] = tk.StringVar(value=",")
entry_delimiter = ttk.Entry(self.data_tab, textvariable=self.settings_vars["delimiter"], width=5)
entry_delimiter.grid(row=2, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 2, 2, "Character used to separate columns in CSV data files.")
ttk.Label(self.data_tab, text="Column Names (comma-separated):").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["col_names"] = tk.StringVar(value="seqs,labels")
entry_col_names = ttk.Entry(self.data_tab, textvariable=self.settings_vars["col_names"], width=20)
entry_col_names.grid(row=3, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 3, 2, "Names of columns in data files, separate with commas.")
ttk.Label(self.data_tab, text="Multi-Column Sequences (space-separated):").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["multi_column"] = tk.StringVar(value="")
entry_multi_column = ttk.Entry(self.data_tab, textvariable=self.settings_vars["multi_column"], width=20)
entry_multi_column.grid(row=4, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 4, 2, "If set, list of sequence column names to combine per sample (space-separated). Leave empty if not using multi-column sequences.")
ttk.Label(self.data_tab, text="Local Data Directories (comma-separated):").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["data_dirs"] = tk.StringVar(value="")
entry_data_dirs = ttk.Entry(self.data_tab, textvariable=self.settings_vars["data_dirs"], width=30)
entry_data_dirs.grid(row=5, column=1, padx=10, pady=5, sticky="w")
browse_data_dir_button = ttk.Button(self.data_tab, text="Browse", command=self._browse_data_dir)
browse_data_dir_button.grid(row=5, column=2, padx=5, pady=5)
self.add_help_button(self.data_tab, 5, 3, "Optional local dataset directories. Multiple paths can be comma-separated.")
ttk.Label(self.data_tab, text="AA -> DNA:").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["aa_to_dna"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["aa_to_dna"]).grid(row=6, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="AA -> RNA:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["aa_to_rna"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["aa_to_rna"]).grid(row=7, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="DNA -> AA:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["dna_to_aa"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["dna_to_aa"]).grid(row=8, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="RNA -> AA:").grid(row=9, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["rna_to_aa"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["rna_to_aa"]).grid(row=9, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="Codon -> AA:").grid(row=10, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["codon_to_aa"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["codon_to_aa"]).grid(row=10, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="AA -> Codon:").grid(row=11, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["aa_to_codon"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["aa_to_codon"]).grid(row=11, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.data_tab, text="Random Pair Flipping:").grid(row=12, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["random_pair_flipping"] = tk.BooleanVar(value=False)
ttk.Checkbutton(self.data_tab, variable=self.settings_vars["random_pair_flipping"]).grid(row=12, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.data_tab, 12, 2, "Randomly flip paired inputs during training for pair datasets.")
ttk.Label(self.data_tab, text="Dataset Names:").grid(row=13, column=0, padx=10, pady=5, sticky="nw")
self.data_listbox = tk.Listbox(self.data_tab, selectmode="extended", height=20, width=25)
for dataset_name in supported_datasets:
if dataset_name not in internal_datasets:
self.data_listbox.insert(tk.END, dataset_name)
self.data_listbox.grid(row=13, column=1, padx=10, pady=5, sticky="nw")
self.add_help_button(self.data_tab, 13, 2, "Select datasets to use. Multiple datasets can be selected.")
run_button = ttk.Button(self.data_tab, text="Get Data", command=self._get_data)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_embed_tab(self):
# batch_size
ttk.Label(self.embed_tab, text="Batch Size:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["batch_size"] = tk.IntVar(value=4)
spin_batch_size = ttk.Spinbox(self.embed_tab, from_=1, to=1024, textvariable=self.settings_vars["batch_size"])
spin_batch_size.grid(row=1, column=1, padx=10, pady=5)
self.add_help_button(self.embed_tab, 1, 2, "Number of sequences to process at once during embedding.")
# num_workers
ttk.Label(self.embed_tab, text="Num Workers:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["num_workers"] = tk.IntVar(value=0)
spin_num_workers = ttk.Spinbox(self.embed_tab, from_=0, to=64, textvariable=self.settings_vars["num_workers"])
spin_num_workers.grid(row=2, column=1, padx=10, pady=5)
self.add_help_button(self.embed_tab, 2, 2, "Number of worker processes for data loading. 0 means main process only.")
# download_embeddings
ttk.Label(self.embed_tab, text="Download Embeddings:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["download_embeddings"] = tk.BooleanVar(value=False)
check_download = ttk.Checkbutton(self.embed_tab, variable=self.settings_vars["download_embeddings"])
check_download.grid(row=3, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.embed_tab, 3, 2, "Whether to download pre-computed embeddings from HuggingFace instead of computing them.")
# matrix_embed
ttk.Label(self.embed_tab, text="Matrix Embedding:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["matrix_embed"] = tk.BooleanVar(value=False)
check_matrix = ttk.Checkbutton(self.embed_tab, variable=self.settings_vars["matrix_embed"])
check_matrix.grid(row=4, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.embed_tab, 4, 2, "Whether to use matrix embedding (full embedding matrices) instead of pooled embeddings.")
# pooling_types
ttk.Label(self.embed_tab, text="Pooling Types (comma-separated):").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["embedding_pooling_types"] = tk.StringVar(value="mean, var")
entry_pooling = ttk.Entry(self.embed_tab, textvariable=self.settings_vars["embedding_pooling_types"], width=20)
entry_pooling.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(self.embed_tab, 5, 2, "Types of pooling to apply to embeddings, separate with commas.")
ttk.Label(self.embed_tab, text="Options: mean, max, min, norm, prod, median, std, var, cls, parti").grid(row=6, column=0, columnspan=2, padx=10, pady=2, sticky="w")
# embed_dtype
ttk.Label(self.embed_tab, text="Embedding DType:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["embed_dtype"] = tk.StringVar(value="float32")
combo_dtype = ttk.Combobox(
self.embed_tab,
textvariable=self.settings_vars["embed_dtype"],
values=["float32", "float16", "bfloat16", "float8_e4m3fn", "float8_e5m2"]
)
combo_dtype.grid(row=7, column=1, padx=10, pady=5)
self.add_help_button(self.embed_tab, 7, 2, "Data type to use for storing embeddings (affects precision and size).")
# sql
ttk.Label(self.embed_tab, text="Use SQL:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sql"] = tk.BooleanVar(value=False)
check_sql = ttk.Checkbutton(self.embed_tab, variable=self.settings_vars["sql"])
check_sql.grid(row=8, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.embed_tab, 8, 2, "Whether to use SQL database for storing embeddings instead of files.")
run_button = ttk.Button(self.embed_tab, text="Embed sequences to disk", command=self._get_embeddings)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_probe_tab(self):
# Probe Type
ttk.Label(self.probe_tab, text="Probe Type:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["probe_type"] = tk.StringVar(value="linear")
combo_probe = ttk.Combobox(
self.probe_tab,
textvariable=self.settings_vars["probe_type"],
values=["linear", "transformer", "retrievalnet", "lyra"]
)
combo_probe.grid(row=0, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 0, 2, "Type of probe architecture to use (linear, transformer, or retrievalnet).")
# Tokenwise
ttk.Label(self.probe_tab, text="Tokenwise:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["tokenwise"] = tk.BooleanVar(value=False)
check_tokenwise = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["tokenwise"])
check_tokenwise.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 1, 2, "Whether to use token-wise prediction (operate on each token) instead of sequence-level.")
# Pre Layer Norm
ttk.Label(self.probe_tab, text="Pre Layer Norm:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["pre_ln"] = tk.BooleanVar(value=True)
check_pre_ln = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["pre_ln"])
check_pre_ln.grid(row=2, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 2, 2, "Whether to use pre-layer normalization in transformer architecture.")
# Number of Layers
ttk.Label(self.probe_tab, text="Number of Layers:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["n_layers"] = tk.IntVar(value=1)
spin_n_layers = ttk.Spinbox(self.probe_tab, from_=1, to=100, textvariable=self.settings_vars["n_layers"])
spin_n_layers.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 3, 2, "Number of layers in the probe architecture.")
# Hidden Dimension
ttk.Label(self.probe_tab, text="Hidden Dimension:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["hidden_size"] = tk.IntVar(value=8192)
spin_hidden_size = ttk.Spinbox(self.probe_tab, from_=1, to=10000, textvariable=self.settings_vars["hidden_size"])
spin_hidden_size.grid(row=4, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 4, 2, "Size of hidden dimension in the probe model.")
# Dropout
ttk.Label(self.probe_tab, text="Dropout:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["dropout"] = tk.DoubleVar(value=0.2)
spin_dropout = ttk.Spinbox(self.probe_tab, from_=0.0, to=1.0, increment=0.1, textvariable=self.settings_vars["dropout"])
spin_dropout.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 5, 2, "Dropout probability for regularization (0.0-1.0).")
# Transformer Probe Settings
ttk.Label(self.probe_tab, text="=== Transformer Probe Settings ===").grid(row=6, column=0, columnspan=2, pady=10)
# Transformer Hidden Dimension
ttk.Label(self.probe_tab, text="Transformer Hidden Dimension:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["transformer_hidden_size"] = tk.IntVar(value=512)
spin_transformer_hidden_size = ttk.Spinbox(self.probe_tab, from_=64, to=4096, textvariable=self.settings_vars["transformer_hidden_size"])
spin_transformer_hidden_size.grid(row=7, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 7, 2, "Internal hidden dimension for transformer probe (512 recommended).")
# FF Dimension
ttk.Label(self.probe_tab, text="Classifier Dimension:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["classifier_size"] = tk.IntVar(value=4096)
spin_classifier_size = ttk.Spinbox(self.probe_tab, from_=1, to=10000, textvariable=self.settings_vars["classifier_size"])
spin_classifier_size.grid(row=8, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 8, 2, "Dimension of the classifier/feedforward layer in transformer probe.")
# Classifier Dropout
ttk.Label(self.probe_tab, text="Classifier Dropout:").grid(row=9, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["classifier_dropout"] = tk.DoubleVar(value=0.2)
spin_class_dropout = ttk.Spinbox(self.probe_tab, from_=0.0, to=1.0, increment=0.1, textvariable=self.settings_vars["classifier_dropout"])
spin_class_dropout.grid(row=9, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 9, 2, "Dropout probability in the classifier layer (0.0-1.0).")
# Number of Heads
ttk.Label(self.probe_tab, text="Number of Heads:").grid(row=10, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["n_heads"] = tk.IntVar(value=4)
spin_n_heads = ttk.Spinbox(self.probe_tab, from_=1, to=32, textvariable=self.settings_vars["n_heads"])
spin_n_heads.grid(row=10, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 10, 2, "Number of attention heads in transformer probe.")
# Rotary
ttk.Label(self.probe_tab, text="Rotary:").grid(row=11, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["rotary"] = tk.BooleanVar(value=True)
check_rotary = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["rotary"])
check_rotary.grid(row=11, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 11, 2, "Whether to use rotary position embeddings in transformer.")
# Pooling Types
ttk.Label(self.probe_tab, text="Pooling Types (comma-separated):").grid(row=12, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["probe_pooling_types"] = tk.StringVar(value="mean, var")
entry_pooling = ttk.Entry(self.probe_tab, textvariable=self.settings_vars["probe_pooling_types"], width=20)
entry_pooling.grid(row=12, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 12, 2, "Types of pooling to use in the probe model, separate with commas.")
# Transformer Dropout
ttk.Label(self.probe_tab, text="Transformer Dropout:").grid(row=13, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["transformer_dropout"] = tk.DoubleVar(value=0.1)
spin_transformer_dropout = ttk.Spinbox(self.probe_tab, from_=0.0, to=1.0, increment=0.1, textvariable=self.settings_vars["transformer_dropout"])
spin_transformer_dropout.grid(row=13, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 13, 2, "Dropout probability in the transformer layers (0.0-1.0).")
# Token Attention
ttk.Label(self.probe_tab, text="Token Attention:").grid(row=14, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["token_attention"] = tk.BooleanVar(value=False)
check_token_attention = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["token_attention"])
check_token_attention.grid(row=14, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 14, 2, "If true, use TokenFormer instead of Transformer blocks.")
# Use Bias
ttk.Label(self.probe_tab, text="Use Bias:").grid(row=15, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["use_bias"] = tk.BooleanVar(value=False)
check_use_bias = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["use_bias"])
check_use_bias.grid(row=15, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 15, 2, "Use bias terms in probe linear layers.")
# Add Token IDs
ttk.Label(self.probe_tab, text="Add Token IDs:").grid(row=16, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["add_token_ids"] = tk.BooleanVar(value=False)
check_add_token_ids = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["add_token_ids"])
check_add_token_ids.grid(row=16, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 16, 2, "Add learned token type IDs for pair tasks.")
# RetrievalNet Settings Section
ttk.Label(self.probe_tab, text="=== RetrievalNet Settings ===").grid(row=17, column=0, columnspan=2, pady=10)
# Sim Type
ttk.Label(self.probe_tab, text="Similarity Type:").grid(row=18, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sim_type"] = tk.StringVar(value="dot")
combo_sim_type = ttk.Combobox(
self.probe_tab,
textvariable=self.settings_vars["sim_type"],
values=["dot", "euclidean", "cosine"]
)
combo_sim_type.grid(row=18, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 18, 2, "Cross-attention mechanism for token-parameter-attention (dot, euclidean, or cosine).")
# Save Model
ttk.Label(self.probe_tab, text="Save Model:").grid(row=19, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["save_model"] = tk.BooleanVar(value=False)
check_save_model = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["save_model"])
check_save_model.grid(row=19, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 19, 2, "Whether to save the trained probe model to disk.")
# Production Model
ttk.Label(self.probe_tab, text="Production Model:").grid(row=20, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["production_model"] = tk.BooleanVar(value=False)
check_prod_model = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["production_model"])
check_prod_model.grid(row=20, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 20, 2, "Whether to prepare the model for production deployment.")
# LoRA Settings Section
ttk.Label(self.probe_tab, text="=== LoRA Settings ===").grid(row=21, column=0, columnspan=2, pady=10)
# Lora checkbox
ttk.Label(self.probe_tab, text="Use LoRA:").grid(row=22, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["lora"] = tk.BooleanVar(value=False)
check_lora = ttk.Checkbutton(self.probe_tab, variable=self.settings_vars["lora"])
check_lora.grid(row=22, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.probe_tab, 22, 2, "Whether to use Low-Rank Adaptation (LoRA) for fine-tuning.")
# LoRA r
ttk.Label(self.probe_tab, text="LoRA r:").grid(row=23, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["lora_r"] = tk.IntVar(value=8)
spin_lora_r = ttk.Spinbox(self.probe_tab, from_=1, to=128, textvariable=self.settings_vars["lora_r"])
spin_lora_r.grid(row=23, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 23, 2, "Rank parameter r for LoRA (lower = more efficient, higher = more expressive).")
# LoRA alpha
ttk.Label(self.probe_tab, text="LoRA alpha:").grid(row=24, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["lora_alpha"] = tk.DoubleVar(value=32.0)
spin_lora_alpha = ttk.Spinbox(self.probe_tab, from_=1.0, to=128.0, increment=1.0, textvariable=self.settings_vars["lora_alpha"])
spin_lora_alpha.grid(row=24, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 24, 2, "Alpha parameter for LoRA, controls update scale.")
# LoRA dropout
ttk.Label(self.probe_tab, text="LoRA dropout:").grid(row=25, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["lora_dropout"] = tk.DoubleVar(value=0.01)
spin_lora_dropout = ttk.Spinbox(self.probe_tab, from_=0.0, to=0.5, increment=0.01, textvariable=self.settings_vars["lora_dropout"])
spin_lora_dropout.grid(row=25, column=1, padx=10, pady=5)
self.add_help_button(self.probe_tab, 25, 2, "Dropout probability for LoRA layers (0.0-0.5).")
# Add a button to create the probe
run_button = ttk.Button(self.probe_tab, text="Save Probe Arguments", command=self._create_probe_args)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_trainer_tab(self):
# Hybrid Probe checkbox
ttk.Label(self.trainer_tab, text="Hybrid Probe:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["hybrid_probe"] = tk.BooleanVar(value=False)
check_hybrid_probe = ttk.Checkbutton(self.trainer_tab, variable=self.settings_vars["hybrid_probe"])
check_hybrid_probe.grid(row=0, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 0, 2, "Whether to use hybrid probe (combines neural and linear probes).")
# Full finetuning checkbox
ttk.Label(self.trainer_tab, text="Full Finetuning:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["full_finetuning"] = tk.BooleanVar(value=False)
check_full_ft = ttk.Checkbutton(self.trainer_tab, variable=self.settings_vars["full_finetuning"])
check_full_ft.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 1, 2, "Whether to perform full finetuning of the entire model.")
# num_epochs
ttk.Label(self.trainer_tab, text="Number of Epochs:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["num_epochs"] = tk.IntVar(value=200)
spin_num_epochs = ttk.Spinbox(self.trainer_tab, from_=1, to=1000, textvariable=self.settings_vars["num_epochs"])
spin_num_epochs.grid(row=2, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 2, 2, "Number of training epochs (complete passes through the dataset).")
# probe_batch_size
ttk.Label(self.trainer_tab, text="Probe Batch Size:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["probe_batch_size"] = tk.IntVar(value=64)
spin_probe_batch_size = ttk.Spinbox(self.trainer_tab, from_=1, to=1000, textvariable=self.settings_vars["probe_batch_size"])
spin_probe_batch_size.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 3, 2, "Batch size for probe training.")
# base_batch_size
ttk.Label(self.trainer_tab, text="Base Batch Size:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["base_batch_size"] = tk.IntVar(value=4)
spin_base_batch_size = ttk.Spinbox(self.trainer_tab, from_=1, to=1000, textvariable=self.settings_vars["base_batch_size"])
spin_base_batch_size.grid(row=4, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 4, 2, "Batch size for base model training.")
# probe_grad_accum
ttk.Label(self.trainer_tab, text="Probe Grad Accum:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["probe_grad_accum"] = tk.IntVar(value=1)
spin_probe_grad_accum = ttk.Spinbox(self.trainer_tab, from_=1, to=100, textvariable=self.settings_vars["probe_grad_accum"])
spin_probe_grad_accum.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 5, 2, "Gradient accumulation steps for probe training.")
# base_grad_accum
ttk.Label(self.trainer_tab, text="Base Grad Accum:").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["base_grad_accum"] = tk.IntVar(value=8)
spin_base_grad_accum = ttk.Spinbox(self.trainer_tab, from_=1, to=100, textvariable=self.settings_vars["base_grad_accum"])
spin_base_grad_accum.grid(row=6, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 6, 2, "Gradient accumulation steps for base model training.")
# lr
ttk.Label(self.trainer_tab, text="Learning Rate:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["lr"] = tk.DoubleVar(value=1e-4)
spin_lr = ttk.Spinbox(self.trainer_tab, from_=1e-6, to=1e-2, increment=1e-5, textvariable=self.settings_vars["lr"])
spin_lr.grid(row=7, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 7, 2, "Learning rate for optimizer. Controls step size during training.")
# weight_decay
ttk.Label(self.trainer_tab, text="Weight Decay:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["weight_decay"] = tk.DoubleVar(value=0.00)
spin_weight_decay = ttk.Spinbox(self.trainer_tab, from_=0.0, to=1.0, increment=0.01, textvariable=self.settings_vars["weight_decay"])
spin_weight_decay.grid(row=8, column=1, padx=10, pady=5)
self.add_help_button(self.trainer_tab, 8, 2, "L2 regularization factor to prevent overfitting (0.0-1.0).")
# patience
ttk.Label(self.trainer_tab, text="Patience:").grid(row=9, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["patience"] = tk.IntVar(value=1)
spin_patience = ttk.Spinbox(self.trainer_tab, from_=1, to=100, textvariable=self.settings_vars["patience"])
spin_patience.grid(row=9, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 9, 2, "Number of epochs with no improvement after which training will stop.")
# Random Seed
ttk.Label(self.trainer_tab, text="Random Seed:").grid(row=10, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["seed"] = tk.IntVar(value=42)
spin_seed = ttk.Spinbox(self.trainer_tab, from_=0, to=10000, textvariable=self.settings_vars["seed"])
spin_seed.grid(row=10, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 10, 2, "Random seed for reproducibility of experiments.")
# Read Scaler
ttk.Label(self.trainer_tab, text="Read Scaler:").grid(row=11, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["read_scaler"] = tk.IntVar(value=100)
spin_read_scaler = ttk.Spinbox(self.trainer_tab, from_=1, to=1000, textvariable=self.settings_vars["read_scaler"])
spin_read_scaler.grid(row=11, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 11, 2, "Read scaler for SQL storage (multiplier for batch size when reading from SQL database).")
# Deterministic
ttk.Label(self.trainer_tab, text="Deterministic:").grid(row=12, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["deterministic"] = tk.BooleanVar(value=False)
check_deterministic = ttk.Checkbutton(self.trainer_tab, variable=self.settings_vars["deterministic"])
check_deterministic.grid(row=12, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 12, 2, "Enable deterministic behavior for reproducibility (will slow down training).")
# Number of Runs
ttk.Label(self.trainer_tab, text="Number of Runs:").grid(row=13, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["num_runs"] = tk.IntVar(value=1)
spin_num_runs = ttk.Spinbox(self.trainer_tab, from_=1, to=100, textvariable=self.settings_vars["num_runs"])
spin_num_runs.grid(row=13, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.trainer_tab, 13, 2, "Train multiple runs with different seeds and aggregate metrics.")
run_button = ttk.Button(self.trainer_tab, text="Run trainer", command=self._run_trainer)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_wandb_tab(self):
ttk.Label(self.wandb_tab, text="Use W&B Hyperopt:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["use_wandb_hyperopt"] = tk.BooleanVar(value=False)
check_use_wandb_hyperopt = ttk.Checkbutton(self.wandb_tab, variable=self.settings_vars["use_wandb_hyperopt"])
check_use_wandb_hyperopt.grid(row=0, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.wandb_tab, 0, 2, "Enable Weights & Biases hyperparameter sweeps.")
ttk.Label(self.wandb_tab, text="W&B Project:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["wandb_project"] = tk.StringVar(value="Protify")
entry_wandb_project = ttk.Entry(self.wandb_tab, textvariable=self.settings_vars["wandb_project"], width=30)
entry_wandb_project.grid(row=1, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="W&B Entity (optional):").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["wandb_entity"] = tk.StringVar(value="")
entry_wandb_entity = ttk.Entry(self.wandb_tab, textvariable=self.settings_vars["wandb_entity"], width=30)
entry_wandb_entity.grid(row=2, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="Sweep Config Path:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_config_path"] = tk.StringVar(value="yamls/sweep.yaml")
entry_sweep_config_path = ttk.Entry(self.wandb_tab, textvariable=self.settings_vars["sweep_config_path"], width=30)
entry_sweep_config_path.grid(row=3, column=1, padx=10, pady=5, sticky="w")
browse_sweep_path_button = ttk.Button(self.wandb_tab, text="Browse", command=self._browse_sweep_config)
browse_sweep_path_button.grid(row=3, column=2, padx=5, pady=5)
ttk.Label(self.wandb_tab, text="Sweep Count:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_count"] = tk.IntVar(value=10)
spin_sweep_count = ttk.Spinbox(self.wandb_tab, from_=1, to=10000, textvariable=self.settings_vars["sweep_count"])
spin_sweep_count.grid(row=4, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="Sweep Method:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_method"] = tk.StringVar(value="bayes")
combo_sweep_method = ttk.Combobox(
self.wandb_tab,
textvariable=self.settings_vars["sweep_method"],
values=["bayes", "grid", "random"],
state="readonly",
)
combo_sweep_method.grid(row=5, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="Sweep Metric (Classification):").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_metric_cls"] = tk.StringVar(value="eval_loss")
entry_sweep_metric_cls = ttk.Entry(self.wandb_tab, textvariable=self.settings_vars["sweep_metric_cls"], width=30)
entry_sweep_metric_cls.grid(row=6, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="Sweep Metric (Regression):").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_metric_reg"] = tk.StringVar(value="eval_loss")
entry_sweep_metric_reg = ttk.Entry(self.wandb_tab, textvariable=self.settings_vars["sweep_metric_reg"], width=30)
entry_sweep_metric_reg.grid(row=7, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.wandb_tab, text="Sweep Goal:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["sweep_goal"] = tk.StringVar(value="minimize")
combo_sweep_goal = ttk.Combobox(
self.wandb_tab,
textvariable=self.settings_vars["sweep_goal"],
values=["maximize", "minimize"],
state="readonly",
)
combo_sweep_goal.grid(row=8, column=1, padx=10, pady=5, sticky="w")
run_button = ttk.Button(self.wandb_tab, text="Save W&B Settings", command=self._save_wandb_settings)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_modal_tab(self):
ttk.Label(self.modal_tab, text="Modal App Name:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_app_name"] = tk.StringVar(value="protify-backend")
entry_modal_app_name = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_app_name"], width=30)
entry_modal_app_name.grid(row=0, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Modal Environment (optional):").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_environment"] = tk.StringVar(value="")
entry_modal_environment = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_environment"], width=30)
entry_modal_environment.grid(row=1, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Modal Deploy Tag (optional):").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_tag"] = tk.StringVar(value="")
entry_modal_tag = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_tag"], width=30)
entry_modal_tag.grid(row=2, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Backend Module Path:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_backend_path"] = tk.StringVar(value="src/protify/modal_backend.py")
entry_modal_backend_path = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_backend_path"], width=30)
entry_modal_backend_path.grid(row=3, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="GPU Type:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_gpu_type"] = tk.StringVar(value="A10")
combo_modal_gpu_type = ttk.Combobox(
self.modal_tab,
textvariable=self.settings_vars["modal_gpu_type"],
values=["H200", "H100", "A100-80GB", "A100", "L40S", "A10", "L4", "T4"],
state="readonly",
)
combo_modal_gpu_type.grid(row=4, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Runtime Timeout (seconds):").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_timeout_seconds"] = tk.IntVar(value=86400)
spin_modal_timeout = ttk.Spinbox(self.modal_tab, from_=60, to=604800, textvariable=self.settings_vars["modal_timeout_seconds"])
spin_modal_timeout.grid(row=5, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Poll Interval (seconds):").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_poll_interval_seconds"] = tk.IntVar(value=5)
spin_modal_poll_interval = ttk.Spinbox(self.modal_tab, from_=1, to=600, textvariable=self.settings_vars["modal_poll_interval_seconds"])
spin_modal_poll_interval.grid(row=6, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Log Tail Length (chars):").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_log_tail_chars"] = tk.IntVar(value=5000)
spin_modal_log_tail_chars = ttk.Spinbox(self.modal_tab, from_=500, to=100000, textvariable=self.settings_vars["modal_log_tail_chars"])
spin_modal_log_tail_chars.grid(row=7, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Current Job ID:").grid(row=8, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_job_id"] = tk.StringVar(value="")
entry_modal_job_id = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_job_id"], width=30)
entry_modal_job_id.grid(row=8, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Current Call ID:").grid(row=9, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_call_id"] = tk.StringVar(value="")
entry_modal_call_id = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_call_id"], width=30)
entry_modal_call_id.grid(row=9, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Artifact Output Directory:").grid(row=10, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_artifacts_dir"] = tk.StringVar(value="modal_artifacts")
entry_modal_artifacts_dir = ttk.Entry(self.modal_tab, textvariable=self.settings_vars["modal_artifacts_dir"], width=30)
entry_modal_artifacts_dir.grid(row=10, column=1, padx=10, pady=5, sticky="w")
ttk.Label(self.modal_tab, text="Auto Poll Health:").grid(row=11, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["modal_auto_poll"] = tk.BooleanVar(value=True)
check_modal_auto_poll = ttk.Checkbutton(self.modal_tab, variable=self.settings_vars["modal_auto_poll"])
check_modal_auto_poll.grid(row=11, column=1, padx=10, pady=5, sticky="w")
deploy_button = ttk.Button(self.modal_tab, text="Deploy Modal Backend", command=self._modal_deploy_backend)
deploy_button.grid(row=12, column=0, padx=10, pady=10, sticky="w")
submit_button = ttk.Button(self.modal_tab, text="Submit Remote Run", command=self._modal_submit_run)
submit_button.grid(row=12, column=1, padx=10, pady=10, sticky="w")
poll_button = ttk.Button(self.modal_tab, text="Poll Status", command=self._modal_poll_status)
poll_button.grid(row=13, column=0, padx=10, pady=5, sticky="w")
cancel_button = ttk.Button(self.modal_tab, text="Cancel Run", command=self._modal_cancel_run)
cancel_button.grid(row=13, column=1, padx=10, pady=5, sticky="w")
start_auto_poll_button = ttk.Button(self.modal_tab, text="Start Auto Poll", command=self._modal_start_auto_poll)
start_auto_poll_button.grid(row=14, column=0, padx=10, pady=5, sticky="w")
stop_auto_poll_button = ttk.Button(self.modal_tab, text="Stop Auto Poll", command=self._modal_stop_auto_poll)
stop_auto_poll_button.grid(row=14, column=1, padx=10, pady=5, sticky="w")
fetch_button = ttk.Button(self.modal_tab, text="Fetch Logs/Results/Plots", command=self._modal_fetch_artifacts)
fetch_button.grid(row=15, column=0, columnspan=2, padx=10, pady=10, sticky="w")
def build_proteingym_tab(self):
# ProteinGym Checkbox
ttk.Label(self.proteingym_tab, text="Run ProteinGym:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["proteingym"] = tk.BooleanVar(value=False)
check_proteingym = ttk.Checkbutton(self.proteingym_tab, variable=self.settings_vars["proteingym"])
check_proteingym.grid(row=0, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.proteingym_tab, 0, 2, "Enable ProteinGym zero-shot evaluation.")
# DMS IDs
ttk.Label(self.proteingym_tab, text="DMS IDs (space-separated or 'all'):").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["dms_ids"] = tk.StringVar(value="all")
entry_dms_ids = ttk.Entry(self.proteingym_tab, textvariable=self.settings_vars["dms_ids"], width=30)
entry_dms_ids.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.proteingym_tab, 1, 2, "List of DMS IDs to evaluate, or 'all'.")
# Mode
ttk.Label(self.proteingym_tab, text="Mode:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["mode"] = tk.StringVar(value="benchmark")
combo_mode = ttk.Combobox(
self.proteingym_tab,
textvariable=self.settings_vars["mode"],
values=["benchmark", "indels", "multiples", "singles"]
)
combo_mode.grid(row=2, column=1, padx=10, pady=5)
self.add_help_button(self.proteingym_tab, 2, 2, "ProteinGym zero-shot mode.")
# Scoring Method
ttk.Label(self.proteingym_tab, text="Scoring Method:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scoring_method"] = tk.StringVar(value="masked_marginal")
combo_scoring_method = ttk.Combobox(
self.proteingym_tab,
textvariable=self.settings_vars["scoring_method"],
values=["masked_marginal", "mutant_marginal", "wildtype_marginal", "pll", "global_log_prob"]
)
combo_scoring_method.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(self.proteingym_tab, 3, 2, "Scoring method for zero-shot evaluation.")
# Scoring Window
ttk.Label(self.proteingym_tab, text="Scoring Window:").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scoring_window"] = tk.StringVar(value="optimal")
combo_scoring_window = ttk.Combobox(
self.proteingym_tab,
textvariable=self.settings_vars["scoring_window"],
values=["optimal", "sliding"]
)
combo_scoring_window.grid(row=4, column=1, padx=10, pady=5)
self.add_help_button(self.proteingym_tab, 4, 2, "Windowing strategy for scoring.")
# Batch Size
ttk.Label(self.proteingym_tab, text="Batch Size:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["pg_batch_size"] = tk.IntVar(value=32)
spin_pg_batch_size = ttk.Spinbox(self.proteingym_tab, from_=1, to=1024, textvariable=self.settings_vars["pg_batch_size"])
spin_pg_batch_size.grid(row=5, column=1, padx=10, pady=5)
self.add_help_button(self.proteingym_tab, 5, 2, "Batch size for ProteinGym scoring.")
# Compare Scoring Methods
ttk.Label(self.proteingym_tab, text="Compare Scoring Methods:").grid(row=6, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["compare_scoring_methods"] = tk.BooleanVar(value=False)
check_compare = ttk.Checkbutton(self.proteingym_tab, variable=self.settings_vars["compare_scoring_methods"])
check_compare.grid(row=6, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.proteingym_tab, 6, 2, "Compare different scoring methods across models and DMS assays.")
ttk.Label(self.proteingym_tab, text="Score Only:").grid(row=7, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["score_only"] = tk.BooleanVar(value=False)
check_score_only = ttk.Checkbutton(self.proteingym_tab, variable=self.settings_vars["score_only"])
check_score_only.grid(row=7, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(self.proteingym_tab, 7, 2, "Skip scoring and run benchmark report generation on existing results.")
run_button = ttk.Button(self.proteingym_tab, text="Run ProteinGym", command=self._run_proteingym)
run_button.grid(row=99, column=0, columnspan=2, pady=(10, 10))
def build_scikit_tab(self):
# Create a frame for scikit settings
scikit_frame = ttk.LabelFrame(self.scikit_tab, text="Scikit-Learn Settings")
scikit_frame.pack(fill="x", padx=10, pady=5)
# Use Scikit
ttk.Label(scikit_frame, text="Use Scikit:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["use_scikit"] = tk.BooleanVar(value=False)
check_scikit = ttk.Checkbutton(scikit_frame, variable=self.settings_vars["use_scikit"])
check_scikit.grid(row=0, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 0, 2, "Whether to use scikit-learn models instead of neural networks.")
# Scikit Iterations
ttk.Label(scikit_frame, text="Scikit Iterations:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scikit_n_iter"] = tk.IntVar(value=10)
spin_scikit_n_iter = ttk.Spinbox(scikit_frame, from_=1, to=1000, textvariable=self.settings_vars["scikit_n_iter"])
spin_scikit_n_iter.grid(row=1, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 1, 2, "Number of iterations for iterative scikit-learn models.")
# Scikit CV Folds
ttk.Label(scikit_frame, text="Scikit CV Folds:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scikit_cv"] = tk.IntVar(value=3)
spin_scikit_cv = ttk.Spinbox(scikit_frame, from_=1, to=10, textvariable=self.settings_vars["scikit_cv"])
spin_scikit_cv.grid(row=2, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 2, 2, "Number of cross-validation folds for model evaluation.")
# Scikit Random State
ttk.Label(scikit_frame, text="Scikit Random State:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scikit_random_state"] = tk.IntVar(value=42)
spin_scikit_rand = ttk.Spinbox(scikit_frame, from_=0, to=10000, textvariable=self.settings_vars["scikit_random_state"])
spin_scikit_rand.grid(row=3, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 3, 2, "Random seed for scikit-learn models to ensure reproducibility.")
# Scikit Model Name
ttk.Label(scikit_frame, text="Scikit Model Name (optional):").grid(row=4, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["scikit_model_name"] = tk.StringVar(value="")
entry_scikit_name = ttk.Entry(scikit_frame, textvariable=self.settings_vars["scikit_model_name"], width=30)
entry_scikit_name.grid(row=4, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 4, 2, "Optional name for the scikit-learn model. Leave blank to use default.")
# Number of Jobs/Processors
ttk.Label(scikit_frame, text="Number of Jobs:").grid(row=5, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["n_jobs"] = tk.IntVar(value=1)
spin_n_jobs = ttk.Spinbox(scikit_frame, from_=1, to=32, textvariable=self.settings_vars["n_jobs"])
spin_n_jobs.grid(row=5, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(scikit_frame, 5, 2, "Number of CPU cores to use for parallel processing. Use -1 for all cores.")
run_button = ttk.Button(self.scikit_tab, text="Run Scikit Models", command=self._run_scikit)
run_button.pack(pady=(20, 10))
def build_replay_tab(self):
# Create a frame for replay settings
replay_frame = ttk.LabelFrame(self.replay_tab, text="Log Replay Settings")
replay_frame.pack(fill="x", padx=10, pady=5)
# Replay log path
ttk.Label(replay_frame, text="Replay Log Path:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["replay_path"] = tk.StringVar(value="")
entry_replay = ttk.Entry(replay_frame, textvariable=self.settings_vars["replay_path"], width=40)
entry_replay.grid(row=0, column=1, padx=10, pady=5)
self.add_help_button(replay_frame, 0, 2, "Path to the log file to replay. Use Browse button to select a file.")
# Browse button for selecting log file
browse_button = ttk.Button(replay_frame, text="Browse", command=self._browse_replay_log)
browse_button.grid(row=0, column=2, padx=5, pady=5)
# Start replay button
replay_button = ttk.Button(replay_frame, text="Start Replay", command=self._start_replay)
replay_button.grid(row=1, column=0, columnspan=3, pady=20)
def build_viz_tab(self):
# Create a frame for visualization settings
viz_frame = ttk.LabelFrame(self.viz_tab, text="Visualization Settings")
viz_frame.pack(fill="x", padx=10, pady=5)
# Result ID entry
ttk.Label(viz_frame, text="Result ID:").grid(row=0, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["result_id"] = tk.StringVar(value="")
entry_result_id = ttk.Entry(viz_frame, textvariable=self.settings_vars["result_id"], width=30)
entry_result_id.grid(row=0, column=1, padx=10, pady=5)
self.add_help_button(viz_frame, 0, 2, "ID of the result to visualize. Will look for results/{result_id}.tsv")
# Results file path
ttk.Label(viz_frame, text="Results File:").grid(row=1, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["results_file"] = tk.StringVar(value="")
entry_results_file = ttk.Entry(viz_frame, textvariable=self.settings_vars["results_file"], width=30)
entry_results_file.grid(row=1, column=1, padx=10, pady=5)
# Browse button for selecting results file directly
browse_button = ttk.Button(viz_frame, text="Browse", command=self._browse_results_file)
browse_button.grid(row=1, column=2, padx=5, pady=5)
# Use current run checkbox
ttk.Label(viz_frame, text="Use Current Run:").grid(row=2, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["use_current_run"] = tk.BooleanVar(value=True)
check_current_run = ttk.Checkbutton(viz_frame, variable=self.settings_vars["use_current_run"])
check_current_run.grid(row=2, column=1, padx=10, pady=5, sticky="w")
self.add_help_button(viz_frame, 2, 2, "Use results from the current run.")
# Output directory for plots
ttk.Label(viz_frame, text="Output Directory:").grid(row=3, column=0, padx=10, pady=5, sticky="w")
self.settings_vars["viz_output_dir"] = tk.StringVar(value="plots")
entry_output_dir = ttk.Entry(viz_frame, textvariable=self.settings_vars["viz_output_dir"], width=30)
entry_output_dir.grid(row=3, column=1, padx=10, pady=5)
self.add_help_button(viz_frame, 3, 2, "Directory where plots will be saved.")
# Generate plots button
generate_button = ttk.Button(viz_frame, text="Generate Plots", command=self._generate_plots)
generate_button.grid(row=99, column=0, columnspan=3, pady=20)
def add_help_button(self, parent, row, column, help_text):
"""Add a small help button that displays information when clicked"""
help_button = ttk.Button(parent, text="?", width=2,
command=lambda: messagebox.showinfo("Help", help_text))
help_button.grid(row=row, column=column, padx=(0,5), pady=5)
return help_button
def _selected_model_dtype(self):
dtype_name = self.settings_vars["model_dtype"].get()
assert dtype_name in self.dtype_map, f"Unsupported model dtype: {dtype_name}"
return self.dtype_map[dtype_name]
def _selected_embed_dtype(self):
dtype_name = self.settings_vars["embed_dtype"].get()
assert dtype_name in self.dtype_map, f"Unsupported embedding dtype: {dtype_name}"
return self.dtype_map[dtype_name]
def _browse_data_dir(self):
data_dir = filedialog.askdirectory(title="Select Data Directory")
if not data_dir:
return
existing = self.settings_vars["data_dirs"].get().strip()
if not existing:
self.settings_vars["data_dirs"].set(data_dir)
return
existing_parts = [path.strip() for path in existing.split(",") if path.strip()]
if data_dir not in existing_parts:
existing_parts.append(data_dir)
self.settings_vars["data_dirs"].set(", ".join(existing_parts))
def _browse_sweep_config(self):
filename = filedialog.askopenfilename(
title="Select W&B Sweep Config",
filetypes=(("YAML files", "*.yaml *.yml"), ("All files", "*.*")),
)
if filename:
self.settings_vars["sweep_config_path"].set(filename)
def _save_wandb_settings(self):
print_message("Saving W&B sweep settings...")
self.full_args.use_wandb_hyperopt = self.settings_vars["use_wandb_hyperopt"].get()
self.full_args.wandb_project = self.settings_vars["wandb_project"].get().strip() or "Protify"
wandb_entity = self.settings_vars["wandb_entity"].get().strip()
self.full_args.wandb_entity = wandb_entity if wandb_entity else None
self.full_args.sweep_config_path = self.settings_vars["sweep_config_path"].get().strip() or "yamls/sweep.yaml"
self.full_args.sweep_count = self.settings_vars["sweep_count"].get()
self.full_args.sweep_method = self.settings_vars["sweep_method"].get()
self.full_args.sweep_metric_cls = self.settings_vars["sweep_metric_cls"].get().strip() or "eval_loss"
self.full_args.sweep_metric_reg = self.settings_vars["sweep_metric_reg"].get().strip() or "eval_loss"
self.full_args.sweep_goal = self.settings_vars["sweep_goal"].get()
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
if "log_file" in self.__dict__:
self._write_args()
print_message("W&B sweep settings saved")
print_done()
def _resolve_repo_root(self):
return os.path.abspath(os.path.join(os.path.dirname(__file__), "..", ".."))
def _resolve_modal_backend_path(self):
configured_path = self.settings_vars["modal_backend_path"].get().strip()
if not configured_path:
configured_path = "src/protify/modal_backend.py"
if os.path.isabs(configured_path):
backend_path = configured_path
else:
home_dir = self.settings_vars["home_dir"].get().strip()
candidate_home = os.path.abspath(os.path.join(home_dir, configured_path))
candidate_repo = os.path.abspath(os.path.join(self._resolve_repo_root(), configured_path))
if os.path.exists(candidate_home):
backend_path = candidate_home
else:
backend_path = candidate_repo
assert os.path.exists(backend_path), f"Modal backend path not found: {backend_path}"
return backend_path
def _resolve_modal_credentials(self):
modal_api_key = self.settings_vars["modal_api_key"].get().strip()
modal_token_id = self.settings_vars["modal_token_id"].get().strip()
modal_token_secret = self.settings_vars["modal_token_secret"].get().strip()
if modal_api_key and ((not modal_token_id) or (not modal_token_secret)):
modal_token_id, modal_token_secret = parse_modal_api_key(modal_api_key)
self.settings_vars["modal_token_id"].set(modal_token_id)
self.settings_vars["modal_token_secret"].set(modal_token_secret)
if modal_token_id == "":
modal_token_id = None
if modal_token_secret == "":
modal_token_secret = None
return modal_token_id, modal_token_secret
def _build_modal_env(self):
env = os.environ.copy()
# Force UTF-8 I/O for Modal subprocesses on Windows.
env["PYTHONIOENCODING"] = "utf-8"
env["PYTHONUTF8"] = "1"
modal_token_id, modal_token_secret = self._resolve_modal_credentials()
if modal_token_id is not None:
env["MODAL_TOKEN_ID"] = modal_token_id
os.environ["MODAL_TOKEN_ID"] = modal_token_id
if modal_token_secret is not None:
env["MODAL_TOKEN_SECRET"] = modal_token_secret
os.environ["MODAL_TOKEN_SECRET"] = modal_token_secret
modal_environment = self.settings_vars["modal_environment"].get().strip()
if modal_environment:
env["MODAL_ENVIRONMENT"] = modal_environment
os.environ["MODAL_ENVIRONMENT"] = modal_environment
return env
def _get_modal_sdk(self):
try:
import modal
except Exception as error:
raise RuntimeError("Modal SDK is not installed. Install it with: py -m pip install modal") from error
return modal
def _get_modal_function(self, function_name):
modal = self._get_modal_sdk()
app_name = self.settings_vars["modal_app_name"].get().strip()
if app_name == "":
app_name = "protify-backend"
return modal.Function.from_name(app_name, function_name)
def _collect_modal_run_config(self):
selected_model_indices = self.model_listbox.curselection()
selected_models = [self.model_listbox.get(i) for i in selected_model_indices]
if len(selected_models) == 0:
selected_models = standard_models
selected_dataset_indices = self.data_listbox.curselection()
selected_datasets = [self.data_listbox.get(i) for i in selected_dataset_indices]
data_dirs_str = self.settings_vars["data_dirs"].get().strip()
data_dirs = [path.strip() for path in data_dirs_str.split(",") if path.strip()]
run_proteingym = self.settings_vars["proteingym"].get()
if (len(selected_datasets) == 0) and (len(data_dirs) == 0) and (not run_proteingym):
selected_datasets = standard_data_benchmark
col_names = [name.strip() for name in self.settings_vars["col_names"].get().split(",") if name.strip()]
multi_column_raw = self.settings_vars["multi_column"].get().strip()
if multi_column_raw:
multi_column = multi_column_raw.split()
else:
multi_column = None
embedding_pooling = [item.strip() for item in self.settings_vars["embedding_pooling_types"].get().split(",") if item.strip()]
probe_pooling = [item.strip() for item in self.settings_vars["probe_pooling_types"].get().split(",") if item.strip()]
dms_ids_raw = self.settings_vars["dms_ids"].get().strip()
if dms_ids_raw.lower() == "all":
dms_ids = ["all"]
else:
dms_ids = [item.strip() for item in dms_ids_raw.split() if item.strip()]
wandb_entity = self.settings_vars["wandb_entity"].get().strip()
if wandb_entity == "":
wandb_entity = None
scikit_model_name = self.settings_vars["scikit_model_name"].get().strip()
if scikit_model_name == "":
scikit_model_name = None
hf_home = self.settings_vars["hf_home"].get().strip()
if hf_home == "":
hf_home = None
config = {
"hf_username": self.settings_vars["huggingface_username"].get().strip() or "Synthyra",
"hf_token": self.settings_vars["huggingface_token"].get().strip() or None,
"wandb_api_key": self.settings_vars["wandb_api_key"].get().strip() or None,
"synthyra_api_key": self.settings_vars["synthyra_api_key"].get().strip() or None,
"hf_home": hf_home,
"log_dir": self.settings_vars["log_dir"].get().strip() or "logs",
"results_dir": self.settings_vars["results_dir"].get().strip() or "results",
"model_save_dir": self.settings_vars["model_save_dir"].get().strip() or "weights",
"embedding_save_dir": self.settings_vars["embedding_save_dir"].get().strip() or "embeddings",
"download_dir": self.settings_vars["download_dir"].get().strip() or "Synthyra/vector_embeddings",
"plots_dir": self.settings_vars["plots_dir"].get().strip() or "plots",
"replay_path": None,
"pretrained_probe_path": None,
"data_names": selected_datasets,
"data_dirs": data_dirs,
"delimiter": self.settings_vars["delimiter"].get(),
"col_names": col_names,
"max_length": self.settings_vars["max_length"].get(),
"trim": self.settings_vars["trim"].get(),
"multi_column": multi_column,
"aa_to_dna": self.settings_vars["aa_to_dna"].get(),
"aa_to_rna": self.settings_vars["aa_to_rna"].get(),
"dna_to_aa": self.settings_vars["dna_to_aa"].get(),
"rna_to_aa": self.settings_vars["rna_to_aa"].get(),
"codon_to_aa": self.settings_vars["codon_to_aa"].get(),
"aa_to_codon": self.settings_vars["aa_to_codon"].get(),
"random_pair_flipping": self.settings_vars["random_pair_flipping"].get(),
"model_names": selected_models,
"model_paths": None,
"model_types": None,
"model_dtype": self.settings_vars["model_dtype"].get(),
"use_xformers": self.settings_vars["use_xformers"].get(),
"embedding_batch_size": self.settings_vars["batch_size"].get(),
"embedding_num_workers": self.settings_vars["num_workers"].get(),
"num_workers": self.settings_vars["num_workers"].get(),
"download_embeddings": self.settings_vars["download_embeddings"].get(),
"matrix_embed": self.settings_vars["matrix_embed"].get(),
"embedding_pooling_types": embedding_pooling,
"save_embeddings": True,
"embed_dtype": self.settings_vars["embed_dtype"].get(),
"sql": self.settings_vars["sql"].get(),
"probe_type": self.settings_vars["probe_type"].get(),
"tokenwise": self.settings_vars["tokenwise"].get(),
"hidden_size": self.settings_vars["hidden_size"].get(),
"transformer_hidden_size": self.settings_vars["transformer_hidden_size"].get(),
"dropout": self.settings_vars["dropout"].get(),
"n_layers": self.settings_vars["n_layers"].get(),
"pre_ln": self.settings_vars["pre_ln"].get(),
"classifier_size": self.settings_vars["classifier_size"].get(),
"transformer_dropout": self.settings_vars["transformer_dropout"].get(),
"classifier_dropout": self.settings_vars["classifier_dropout"].get(),
"n_heads": self.settings_vars["n_heads"].get(),
"rotary": self.settings_vars["rotary"].get(),
"probe_pooling_types": probe_pooling,
"use_bias": self.settings_vars["use_bias"].get(),
"save_model": self.settings_vars["save_model"].get(),
"production_model": self.settings_vars["production_model"].get(),
"lora": self.settings_vars["lora"].get(),
"lora_r": self.settings_vars["lora_r"].get(),
"lora_alpha": self.settings_vars["lora_alpha"].get(),
"lora_dropout": self.settings_vars["lora_dropout"].get(),
"sim_type": self.settings_vars["sim_type"].get(),
"token_attention": self.settings_vars["token_attention"].get(),
"add_token_ids": self.settings_vars["add_token_ids"].get(),
"num_epochs": self.settings_vars["num_epochs"].get(),
"probe_batch_size": self.settings_vars["probe_batch_size"].get(),
"base_batch_size": self.settings_vars["base_batch_size"].get(),
"probe_grad_accum": self.settings_vars["probe_grad_accum"].get(),
"base_grad_accum": self.settings_vars["base_grad_accum"].get(),
"lr": self.settings_vars["lr"].get(),
"weight_decay": self.settings_vars["weight_decay"].get(),
"patience": self.settings_vars["patience"].get(),
"seed": self.settings_vars["seed"].get(),
"deterministic": self.settings_vars["deterministic"].get(),
"full_finetuning": self.settings_vars["full_finetuning"].get(),
"hybrid_probe": self.settings_vars["hybrid_probe"].get(),
"num_runs": self.settings_vars["num_runs"].get(),
"read_scaler": self.settings_vars["read_scaler"].get(),
"dms_ids": dms_ids,
"proteingym": run_proteingym,
"mode": self.settings_vars["mode"].get(),
"scoring_method": self.settings_vars["scoring_method"].get(),
"scoring_window": self.settings_vars["scoring_window"].get(),
"pg_batch_size": self.settings_vars["pg_batch_size"].get(),
"compare_scoring_methods": self.settings_vars["compare_scoring_methods"].get(),
"score_only": self.settings_vars["score_only"].get(),
"use_wandb_hyperopt": self.settings_vars["use_wandb_hyperopt"].get(),
"wandb_project": self.settings_vars["wandb_project"].get().strip() or "Protify",
"wandb_entity": wandb_entity,
"sweep_config_path": self.settings_vars["sweep_config_path"].get().strip() or "yamls/sweep.yaml",
"sweep_count": self.settings_vars["sweep_count"].get(),
"sweep_method": self.settings_vars["sweep_method"].get(),
"sweep_metric_cls": self.settings_vars["sweep_metric_cls"].get().strip() or "eval_loss",
"sweep_metric_reg": self.settings_vars["sweep_metric_reg"].get().strip() or "eval_loss",
"sweep_goal": self.settings_vars["sweep_goal"].get(),
"use_scikit": self.settings_vars["use_scikit"].get(),
"scikit_n_iter": self.settings_vars["scikit_n_iter"].get(),
"scikit_cv": self.settings_vars["scikit_cv"].get(),
"scikit_random_state": self.settings_vars["scikit_random_state"].get(),
"scikit_model_name": scikit_model_name,
"n_jobs": self.settings_vars["n_jobs"].get(),
}
return config
def _modal_deploy_backend(self):
print_message("Deploying Modal backend...")
def background_deploy():
backend_path = self._resolve_modal_backend_path()
repo_root = self._resolve_repo_root()
env = self._build_modal_env()
app_name = self.settings_vars["modal_app_name"].get().strip() or "protify-backend"
modal_environment = self.settings_vars["modal_environment"].get().strip()
modal_tag = self.settings_vars["modal_tag"].get().strip()
command = [sys.executable, "-m", "modal", "deploy", backend_path, "--name", app_name]
if modal_environment:
command.extend(["--env", modal_environment])
if modal_tag:
command.extend(["--tag", modal_tag])
try:
process = subprocess.run(command, cwd=repo_root, env=env, capture_output=True, text=True)
except FileNotFoundError:
fallback_command = ["modal", "deploy", backend_path, "--name", app_name]
if modal_environment:
fallback_command.extend(["--env", modal_environment])
if modal_tag:
fallback_command.extend(["--tag", modal_tag])
process = subprocess.run(fallback_command, cwd=repo_root, env=env, capture_output=True, text=True)
if process.returncode != 0:
if "No module named modal" in process.stderr:
raise RuntimeError("Modal is not installed in this Python environment. Install it with: py -m pip install modal")
raise RuntimeError(f"Modal deploy failed:\n{process.stderr}")
stdout_tail = process.stdout[-4000:] if process.stdout else "Deployment completed."
print_message(stdout_tail)
print_done()
self.run_in_background(background_deploy)
def _modal_submit_run(self):
print_message("Submitting remote Modal run...")
def background_submit():
self._build_modal_env()
submit_fn = self._get_modal_function("submit_protify_job")
config = self._collect_modal_run_config()
gpu_type = self.settings_vars["modal_gpu_type"].get()
timeout_seconds = self.settings_vars["modal_timeout_seconds"].get()
hf_token = self.settings_vars["huggingface_token"].get().strip() or None
wandb_api_key = self.settings_vars["wandb_api_key"].get().strip() or None
synthyra_api_key = self.settings_vars["synthyra_api_key"].get().strip() or None
result = submit_fn.remote(
config=config,
gpu_type=gpu_type,
hf_token=hf_token,
wandb_api_key=wandb_api_key,
synthyra_api_key=synthyra_api_key,
timeout_seconds=timeout_seconds,
)
assert isinstance(result, dict), "submit_protify_job returned a non-dict response."
assert "job_id" in result, "submit_protify_job response missing job_id."
assert "function_call_id" in result, "submit_protify_job response missing function_call_id."
job_id = result["job_id"]
function_call_id = result["function_call_id"]
self.settings_vars["modal_job_id"].set(job_id)
self.settings_vars["modal_call_id"].set(function_call_id)
self.full_args.modal_job_id = job_id
self.full_args.modal_call_id = function_call_id
print_message(f"Modal job submitted.\nJob ID: {job_id}\nCall ID: {function_call_id}")
if self.settings_vars["modal_auto_poll"].get():
self.modal_polling_active = True
self.master.after(0, self._modal_auto_poll_loop)
print_done()
self.run_in_background(background_submit)
def _modal_start_auto_poll(self):
if self.modal_polling_active:
print_message("Auto polling is already active.")
return
self.modal_polling_active = True
print_message("Started Modal auto polling.")
self._modal_auto_poll_loop()
def _modal_stop_auto_poll(self):
self.modal_polling_active = False
print_message("Stopped Modal auto polling.")
def _modal_auto_poll_loop(self):
if not self.modal_polling_active:
return
if not self.settings_vars["modal_auto_poll"].get():
self.modal_polling_active = False
return
job_id = self.settings_vars["modal_job_id"].get().strip()
if not job_id:
self.modal_polling_active = False
return
self._modal_poll_status()
poll_interval_seconds = self.settings_vars["modal_poll_interval_seconds"].get()
self.master.after(max(1, poll_interval_seconds) * 1000, self._modal_auto_poll_loop)
def _modal_poll_status(self):
job_id = self.settings_vars["modal_job_id"].get().strip()
if not job_id:
print_message("No Modal job ID set. Submit a remote run first.")
return
print_message(f"Polling Modal status for job {job_id}...")
def background_poll():
self._build_modal_env()
status_fn = self._get_modal_function("get_job_status")
log_tail_fn = self._get_modal_function("get_job_log_tail")
status_payload = status_fn.remote(job_id=job_id)
max_chars = self.settings_vars["modal_log_tail_chars"].get()
log_payload = log_tail_fn.remote(job_id=job_id, max_chars=max_chars)
assert isinstance(status_payload, dict), "get_job_status returned a non-dict response."
if "function_call_id" in status_payload and status_payload["function_call_id"]:
self.settings_vars["modal_call_id"].set(status_payload["function_call_id"])
self.full_args.modal_last_status = status_payload
status_value = status_payload["status"] if "status" in status_payload else "UNKNOWN"
phase_value = status_payload["phase"] if "phase" in status_payload else "N/A"
heartbeat_value = status_payload["last_heartbeat_utc"] if "last_heartbeat_utc" in status_payload else "N/A"
heartbeat_age = status_payload["heartbeat_age_seconds"] if "heartbeat_age_seconds" in status_payload else None
error_value = status_payload["error"] if "error" in status_payload else None
heartbeat_age_text = "N/A" if heartbeat_age is None else f"{heartbeat_age:.1f}s"
print_message(
f"Modal Status: {status_value}\n"
f"Phase: {phase_value}\n"
f"Last Heartbeat: {heartbeat_value}\n"
f"Heartbeat Age: {heartbeat_age_text}"
)
if error_value:
print_message(f"Failure Reason: {error_value}")
if isinstance(log_payload, dict) and "log_tail" in log_payload and log_payload["log_tail"]:
print_message(f"Latest Logs (tail):\n{log_payload['log_tail']}")
if status_value in ["SUCCESS", "FAILED", "TERMINATED", "TIMEOUT"]:
self.modal_polling_active = False
print_done()
self.run_in_background(background_poll)
def _modal_cancel_run(self):
function_call_id = self.settings_vars["modal_call_id"].get().strip()
if not function_call_id:
print_message("No Modal call ID set. Poll status or submit a run first.")
return
job_id = self.settings_vars["modal_job_id"].get().strip()
print_message(f"Cancelling Modal run {function_call_id}...")
self.modal_polling_active = False
def background_cancel():
self._build_modal_env()
cancel_fn = self._get_modal_function("cancel_protify_job")
if job_id:
result = cancel_fn.remote(function_call_id=function_call_id, job_id=job_id)
else:
result = cancel_fn.remote(function_call_id=function_call_id, job_id=None)
print_message(f"Cancel result: {result}")
print_done()
self.run_in_background(background_cancel)
def _modal_fetch_artifacts(self):
job_id = self.settings_vars["modal_job_id"].get().strip()
if not job_id:
print_message("No Modal job ID set. Submit a run first.")
return
print_message(f"Fetching Modal artifacts for job {job_id}...")
def background_fetch():
self._build_modal_env()
results_fn = self._get_modal_function("get_results")
result_payload = results_fn.remote(job_id=job_id)
assert isinstance(result_payload, dict), "get_results returned a non-dict response."
assert "success" in result_payload, "get_results response missing success field."
assert result_payload["success"], f"Modal get_results failed: {result_payload}"
output_dir_raw = self.settings_vars["modal_artifacts_dir"].get().strip() or "modal_artifacts"
home_dir = self.settings_vars["home_dir"].get().strip() or os.getcwd()
if os.path.isabs(output_dir_raw):
output_dir = output_dir_raw
else:
output_dir = os.path.abspath(os.path.join(home_dir, output_dir_raw))
job_dir = os.path.join(output_dir, job_id)
os.makedirs(job_dir, exist_ok=True)
text_file_count = 0
image_file_count = 0
files_payload = result_payload["files"] if "files" in result_payload else {}
for rel_path in files_payload:
local_path = os.path.join(job_dir, rel_path.replace("/", os.sep))
local_parent = os.path.dirname(local_path)
os.makedirs(local_parent, exist_ok=True)
with open(local_path, "w", encoding="utf-8") as file:
file.write(files_payload[rel_path])
text_file_count += 1
images_payload = result_payload["images"] if "images" in result_payload else {}
for rel_path in images_payload:
image_info = images_payload[rel_path]
if "data" not in image_info:
continue
local_path = os.path.join(job_dir, rel_path.replace("/", os.sep))
local_parent = os.path.dirname(local_path)
os.makedirs(local_parent, exist_ok=True)
image_bytes = base64.b64decode(image_info["data"])
with open(local_path, "wb") as file:
file.write(image_bytes)
image_file_count += 1
metadata_path = os.path.join(job_dir, "modal_fetch_summary.json")
with open(metadata_path, "w", encoding="utf-8") as file:
json.dump(result_payload, file, indent=2)
print_message(
f"Saved Modal artifacts to {job_dir}\n"
f"Text files: {text_file_count}\n"
f"Images: {image_file_count}"
)
print_done()
self.run_in_background(background_fetch)
def _session_start(self):
print_message("Starting Protify session...")
# Update session variables
hf_token = self.settings_vars["huggingface_token"].get()
synthyra_api_key = self.settings_vars["synthyra_api_key"].get()
wandb_api_key = self.settings_vars["wandb_api_key"].get()
modal_api_key = self.settings_vars["modal_api_key"].get().strip()
modal_token_id = self.settings_vars["modal_token_id"].get().strip()
modal_token_secret = self.settings_vars["modal_token_secret"].get().strip()
def background_login():
local_modal_token_id = modal_token_id
local_modal_token_secret = modal_token_secret
if modal_api_key and ((not local_modal_token_id) or (not local_modal_token_secret)):
local_modal_token_id, local_modal_token_secret = parse_modal_api_key(modal_api_key)
if hf_token:
from huggingface_hub import login
login(hf_token)
print_message('Logged in to Hugging Face')
if wandb_api_key:
try:
import wandb
wandb.login(key=wandb_api_key)
print_message('Logged in to Weights & Biases')
except Exception as error:
print_message(f'W&B login failed: {error}')
if synthyra_api_key:
print_message('Synthyra API not integrated yet')
self.full_args.hf_username = self.settings_vars["huggingface_username"].get()
self.full_args.hf_token = hf_token
self.full_args.synthyra_api_key = synthyra_api_key
self.full_args.wandb_api_key = wandb_api_key
self.full_args.modal_api_key = modal_api_key if modal_api_key else None
self.full_args.modal_token_id = local_modal_token_id if local_modal_token_id else None
self.full_args.modal_token_secret = local_modal_token_secret if local_modal_token_secret else None
self.full_args.home_dir = self.settings_vars["home_dir"].get()
self.full_args.model_dtype = self._selected_model_dtype()
self.full_args.use_xformers = self.settings_vars["use_xformers"].get()
self.full_args.num_runs = self.settings_vars["num_runs"].get()
self.full_args.use_wandb_hyperopt = self.settings_vars["use_wandb_hyperopt"].get()
self.full_args.wandb_project = self.settings_vars["wandb_project"].get().strip() or "Protify"
wandb_entity = self.settings_vars["wandb_entity"].get().strip()
self.full_args.wandb_entity = wandb_entity if wandb_entity else None
self.full_args.sweep_config_path = self.settings_vars["sweep_config_path"].get().strip() or "yamls/sweep.yaml"
self.full_args.sweep_count = self.settings_vars["sweep_count"].get()
self.full_args.sweep_method = self.settings_vars["sweep_method"].get()
self.full_args.sweep_metric_cls = self.settings_vars["sweep_metric_cls"].get().strip() or "eval_loss"
self.full_args.sweep_metric_reg = self.settings_vars["sweep_metric_reg"].get().strip() or "eval_loss"
self.full_args.sweep_goal = self.settings_vars["sweep_goal"].get()
self.full_args.score_only = self.settings_vars["score_only"].get()
self.full_args.aa_to_dna = self.settings_vars["aa_to_dna"].get()
self.full_args.aa_to_rna = self.settings_vars["aa_to_rna"].get()
self.full_args.dna_to_aa = self.settings_vars["dna_to_aa"].get()
self.full_args.rna_to_aa = self.settings_vars["rna_to_aa"].get()
self.full_args.codon_to_aa = self.settings_vars["codon_to_aa"].get()
self.full_args.aa_to_codon = self.settings_vars["aa_to_codon"].get()
self.full_args.random_pair_flipping = self.settings_vars["random_pair_flipping"].get()
self.full_args.data_dirs = []
if self.full_args.modal_token_id:
os.environ["MODAL_TOKEN_ID"] = self.full_args.modal_token_id
if self.full_args.modal_token_secret:
os.environ["MODAL_TOKEN_SECRET"] = self.full_args.modal_token_secret
if self.full_args.use_xformers:
os.environ["_USE_XFORMERS"] = "1"
elif "_USE_XFORMERS" in os.environ:
del os.environ["_USE_XFORMERS"]
# Handle hf_home - convert empty string to None
hf_home_value = self.settings_vars["hf_home"].get().strip()
self.full_args.hf_home = hf_home_value if hf_home_value else None
def _make_true_dir(path):
true_path = os.path.join(self.full_args.home_dir, path)
os.makedirs(true_path, exist_ok=True)
return true_path
self.full_args.log_dir = _make_true_dir(self.settings_vars["log_dir"].get())
self.full_args.results_dir = _make_true_dir(self.settings_vars["results_dir"].get())
self.full_args.model_save_dir = _make_true_dir(self.settings_vars["model_save_dir"].get())
self.full_args.plots_dir = _make_true_dir(self.settings_vars["plots_dir"].get())
self.full_args.embedding_save_dir = _make_true_dir(self.settings_vars["embedding_save_dir"].get())
self.full_args.download_dir = _make_true_dir(self.settings_vars["download_dir"].get())
self.full_args.replay_path = None
self.logger_args = SimpleNamespace(**self.full_args.__dict__)
self.start_log_gui()
print_message(f"Session and logging started for id {self.random_id}")
print_done()
self.run_in_background(background_login)
def _create_probe_args(self):
print_message("Configuring probe...")
# Gather settings from variables
self.full_args.probe_type = self.settings_vars["probe_type"].get()
self.full_args.tokenwise = self.settings_vars["tokenwise"].get()
self.full_args.pre_ln = self.settings_vars["pre_ln"].get()
self.full_args.n_layers = self.settings_vars["n_layers"].get()
self.full_args.hidden_size = self.settings_vars["hidden_size"].get()
self.full_args.dropout = self.settings_vars["dropout"].get()
self.full_args.transformer_hidden_size = self.settings_vars["transformer_hidden_size"].get()
self.full_args.classifier_size = self.settings_vars["classifier_size"].get()
self.full_args.classifier_dropout = self.settings_vars["classifier_dropout"].get()
self.full_args.n_heads = self.settings_vars["n_heads"].get()
self.full_args.rotary = self.settings_vars["rotary"].get()
pooling_str = self.settings_vars["probe_pooling_types"].get().strip()
self.full_args.probe_pooling_types = [p.strip() for p in pooling_str.split(",") if p.strip()]
self.full_args.transformer_dropout = self.settings_vars["transformer_dropout"].get()
self.full_args.token_attention = self.settings_vars["token_attention"].get()
self.full_args.use_bias = self.settings_vars["use_bias"].get()
self.full_args.add_token_ids = self.settings_vars["add_token_ids"].get()
self.full_args.sim_type = self.settings_vars["sim_type"].get()
self.full_args.save_model = self.settings_vars["save_model"].get()
self.full_args.production_model = self.settings_vars["production_model"].get()
self.full_args.lora = self.settings_vars["lora"].get()
self.full_args.lora_r = self.settings_vars["lora_r"].get()
self.full_args.lora_alpha = self.settings_vars["lora_alpha"].get()
self.full_args.lora_dropout = self.settings_vars["lora_dropout"].get()
# Create ProbeArguments
self.probe_args = ProbeArguments(**self.full_args.__dict__)
# Update logger args
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
print_message("Probe configuration saved")
print_done()
def _run_trainer(self):
print_message("Starting training...")
# Gather settings
self.full_args.hybrid_probe = self.settings_vars["hybrid_probe"].get()
self.full_args.full_finetuning = self.settings_vars["full_finetuning"].get()
self.full_args.num_epochs = self.settings_vars["num_epochs"].get()
self.full_args.probe_batch_size = self.settings_vars["probe_batch_size"].get()
self.full_args.base_batch_size = self.settings_vars["base_batch_size"].get()
self.full_args.probe_grad_accum = self.settings_vars["probe_grad_accum"].get()
self.full_args.base_grad_accum = self.settings_vars["base_grad_accum"].get()
self.full_args.lr = self.settings_vars["lr"].get()
self.full_args.weight_decay = self.settings_vars["weight_decay"].get()
self.full_args.patience = self.settings_vars["patience"].get()
self.full_args.seed = self.settings_vars["seed"].get()
self.full_args.read_scaler = self.settings_vars["read_scaler"].get()
self.full_args.deterministic = self.settings_vars["deterministic"].get()
self.full_args.num_runs = self.settings_vars["num_runs"].get()
self.full_args.use_wandb_hyperopt = self.settings_vars["use_wandb_hyperopt"].get()
self.full_args.wandb_project = self.settings_vars["wandb_project"].get().strip() or "Protify"
wandb_entity = self.settings_vars["wandb_entity"].get().strip()
self.full_args.wandb_entity = wandb_entity if wandb_entity else None
self.full_args.sweep_config_path = self.settings_vars["sweep_config_path"].get().strip() or "yamls/sweep.yaml"
self.full_args.sweep_count = self.settings_vars["sweep_count"].get()
self.full_args.sweep_method = self.settings_vars["sweep_method"].get()
self.full_args.sweep_metric_cls = self.settings_vars["sweep_metric_cls"].get().strip() or "eval_loss"
self.full_args.sweep_metric_reg = self.settings_vars["sweep_metric_reg"].get().strip() or "eval_loss"
self.full_args.sweep_goal = self.settings_vars["sweep_goal"].get()
self.full_args.use_xformers = self.settings_vars["use_xformers"].get()
if self.full_args.use_xformers:
os.environ["_USE_XFORMERS"] = "1"
elif "_USE_XFORMERS" in os.environ:
del os.environ["_USE_XFORMERS"]
# Create TrainerArguments
self.trainer_args = TrainerArguments(**self.full_args.__dict__)
# Update logger args
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
def background_train():
if self.full_args.use_wandb_hyperopt:
if not self.full_args.full_finetuning:
self.save_embeddings_to_disk()
HyperoptModule.run_wandb_hyperopt(self)
elif self.full_args.full_finetuning:
self.run_full_finetuning()
elif self.full_args.hybrid_probe:
self.run_hybrid_probes()
else:
self.run_nn_probes()
print_done()
self.run_in_background(background_train)
def _run_proteingym(self):
print_message("Starting ProteinGym...")
# Gather settings
self.full_args.proteingym = self.settings_vars["proteingym"].get()
dms_ids_str = self.settings_vars["dms_ids"].get().strip()
if dms_ids_str == "all":
self.full_args.dms_ids = ["all"]
else:
self.full_args.dms_ids = dms_ids_str.split()
self.full_args.mode = self.settings_vars["mode"].get()
self.full_args.scoring_method = self.settings_vars["scoring_method"].get()
self.full_args.scoring_window = self.settings_vars["scoring_window"].get()
self.full_args.pg_batch_size = self.settings_vars["pg_batch_size"].get()
self.full_args.compare_scoring_methods = self.settings_vars["compare_scoring_methods"].get()
self.full_args.score_only = self.settings_vars["score_only"].get()
# Update logger args
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
def background_proteingym():
if self.full_args.compare_scoring_methods and self.full_args.proteingym:
print_message("Running scoring method comparison...")
dms_ids = expand_dms_ids_all(self.full_args.dms_ids, mode=self.full_args.mode)
model_names = self.full_args.model_names
if len(model_names) == 0:
print_message("Error: No models selected for comparison")
return
output_csv = os.path.join(self.full_args.results_dir, 'scoring_methods_comparison.csv')
compare_scoring_methods(
model_names=model_names,
device=None,
methods=None,
dms_ids=dms_ids,
progress=True,
output_csv=output_csv
)
print_message(f"Scoring method comparison complete. Results saved to {output_csv}")
elif self.full_args.proteingym:
self.run_proteingym_zero_shot()
print_done()
self.run_in_background(background_proteingym)
def _run_scikit(self):
print_message("Starting Scikit-learn models...")
assert "datasets" in self.__dict__, "Datasets are not loaded. Run the Data tab first."
assert len(self.datasets) > 0, "No datasets are loaded. Run the Data tab first."
assert "all_seqs" in self.__dict__, "Sequences are not loaded. Run the Data tab first."
assert len(self.all_seqs) > 0, "No sequences are loaded. Run the Data tab first."
# Gather model settings
selected_indices = self.model_listbox.curselection()
selected_models = [self.model_listbox.get(i) for i in selected_indices]
if not selected_models:
selected_models = standard_models
self.full_args.model_names = selected_models
self.full_args.model_paths = None
self.full_args.model_types = None
self.full_args.model_dtype = self._selected_model_dtype()
self.full_args.use_xformers = self.settings_vars["use_xformers"].get()
self.model_args = BaseModelArguments(**self.full_args.__dict__)
# Gather embedding settings
pooling_str = self.settings_vars["embedding_pooling_types"].get().strip()
pooling_list = [p.strip() for p in pooling_str.split(",") if p.strip()]
dtype_val = self._selected_embed_dtype()
self.full_args.embedding_batch_size = self.settings_vars["batch_size"].get()
self.full_args.embedding_num_workers = self.settings_vars["num_workers"].get()
self.full_args.download_embeddings = self.settings_vars["download_embeddings"].get()
self.full_args.matrix_embed = self.settings_vars["matrix_embed"].get()
self.full_args.embedding_pooling_types = pooling_list
self.full_args.save_embeddings = True
self.full_args.embed_dtype = dtype_val
self.full_args.sql = self.settings_vars["sql"].get()
self._sql = self.full_args.sql
self._full = self.full_args.matrix_embed
self.embedding_args = EmbeddingArguments(**self.full_args.__dict__)
# Gather scikit settings
self.full_args.use_scikit = self.settings_vars["use_scikit"].get()
self.full_args.scikit_n_iter = self.settings_vars["scikit_n_iter"].get()
self.full_args.scikit_cv = self.settings_vars["scikit_cv"].get()
self.full_args.scikit_random_state = self.settings_vars["scikit_random_state"].get()
scikit_model_name = self.settings_vars["scikit_model_name"].get().strip()
if scikit_model_name:
self.full_args.scikit_model_name = scikit_model_name
else:
self.full_args.scikit_model_name = None
self.full_args.n_jobs = self.settings_vars["n_jobs"].get()
self.full_args.n_iter = self.full_args.scikit_n_iter
self.full_args.cv = self.full_args.scikit_cv
self.full_args.random_state = self.full_args.scikit_random_state
self.full_args.model_name = self.full_args.scikit_model_name
self.scikit_args = self._build_scikit_args()
# Update logger args
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
def background_scikit():
self.save_embeddings_to_disk()
self.run_scikit_scheme()
print_done()
self.run_in_background(background_scikit)
def _select_models(self):
print_message("Selecting models...")
# Gather selected model names
selected_indices = self.model_listbox.curselection()
selected_models = [self.model_listbox.get(i) for i in selected_indices]
# If no selection, default to the entire standard_benchmark
if not selected_models:
selected_models = standard_models
# Update full_args with model settings
self.full_args.model_names = selected_models
self.full_args.model_paths = None
self.full_args.model_types = None
self.full_args.model_dtype = self._selected_model_dtype()
self.full_args.use_xformers = self.settings_vars["use_xformers"].get()
if self.full_args.use_xformers:
os.environ["_USE_XFORMERS"] = "1"
elif "_USE_XFORMERS" in os.environ:
del os.environ["_USE_XFORMERS"]
print_message(self.full_args.model_names)
# Create model args from full args
self.model_args = BaseModelArguments(**self.full_args.__dict__)
print("Model Args:")
for k, v in self.model_args.__dict__.items():
if k != 'model_names':
print(f"{k}:\n{v}")
print("=========================\n")
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
print_done()
def _get_data(self):
print_message("=== Getting Data ===")
print_message("Loading and preparing datasets...")
# Gather settings
selected_indices = self.data_listbox.curselection()
selected_datasets = [self.data_listbox.get(i) for i in selected_indices]
data_dirs_str = self.settings_vars["data_dirs"].get().strip()
data_dirs = [path.strip() for path in data_dirs_str.split(",") if path.strip()]
if (not selected_datasets) and (len(data_dirs) == 0):
selected_datasets = standard_data_benchmark
def background_get_data():
# Update full_args with data settings
self.full_args.data_names = selected_datasets
self.full_args.data_dirs = data_dirs
self.full_args.max_length = self.settings_vars["max_length"].get()
self.full_args.trim = self.settings_vars["trim"].get()
self.full_args.delimiter = self.settings_vars["delimiter"].get()
self.full_args.col_names = [name.strip() for name in self.settings_vars["col_names"].get().split(",") if name.strip()]
self.full_args.aa_to_dna = self.settings_vars["aa_to_dna"].get()
self.full_args.aa_to_rna = self.settings_vars["aa_to_rna"].get()
self.full_args.dna_to_aa = self.settings_vars["dna_to_aa"].get()
self.full_args.rna_to_aa = self.settings_vars["rna_to_aa"].get()
self.full_args.codon_to_aa = self.settings_vars["codon_to_aa"].get()
self.full_args.aa_to_codon = self.settings_vars["aa_to_codon"].get()
self.full_args.random_pair_flipping = self.settings_vars["random_pair_flipping"].get()
# Handle multi_column - convert space-separated string to list or None
multi_column_str = self.settings_vars["multi_column"].get().strip()
if multi_column_str:
self.full_args.multi_column = multi_column_str.split()
else:
self.full_args.multi_column = None
# Update mixin attributes
self._max_length = self.full_args.max_length
self._trim = self.full_args.trim
self._delimiter = self.full_args.delimiter
self._col_names = self.full_args.col_names
self._multi_column = self.full_args.multi_column
self._aa_to_dna = self.full_args.aa_to_dna
self._aa_to_rna = self.full_args.aa_to_rna
self._dna_to_aa = self.full_args.dna_to_aa
self._rna_to_aa = self.full_args.rna_to_aa
self._codon_to_aa = self.full_args.codon_to_aa
self._aa_to_codon = self.full_args.aa_to_codon
# Create data args and get datasets
self.data_args = DataArguments(**self.full_args.__dict__)
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
self.get_datasets()
print_message("Data downloaded and stored")
print_done()
self.run_in_background(background_get_data)
def _get_embeddings(self):
if not self.all_seqs:
print_message('Sequences are not loaded yet. Please run the data tab first.')
return
# Gather settings
print_message("Computing embeddings...")
pooling_str = self.settings_vars["embedding_pooling_types"].get().strip()
pooling_list = [p.strip() for p in pooling_str.split(",") if p.strip()]
dtype_val = self._selected_embed_dtype()
def background_get_embeddings():
# Update full args
self.full_args.all_seqs = self.all_seqs
self.full_args.model_dtype = self._selected_model_dtype()
self.full_args.embedding_batch_size = self.settings_vars["batch_size"].get()
self.full_args.embedding_num_workers = self.settings_vars["num_workers"].get()
self.full_args.download_embeddings = self.settings_vars["download_embeddings"].get()
self.full_args.matrix_embed = self.settings_vars["matrix_embed"].get()
self.full_args.embedding_pooling_types = pooling_list
self.full_args.save_embeddings = True
self.full_args.embed_dtype = dtype_val
self.full_args.sql = self.settings_vars["sql"].get()
self._sql = self.full_args.sql
self._full = self.full_args.matrix_embed
self.embedding_args = EmbeddingArguments(**self.full_args.__dict__)
args_dict = {k: v for k, v in self.full_args.__dict__.items() if k != 'all_seqs' and 'token' not in k.lower() and 'api' not in k.lower()}
self.logger_args = SimpleNamespace(**args_dict)
self._write_args()
print_message("Saving embeddings to disk")
self.save_embeddings_to_disk()
print_message("Embeddings saved to disk")
print_done()
self.run_in_background(background_get_embeddings)
def _browse_replay_log(self):
filename = filedialog.askopenfilename(
title="Select Replay Log",
filetypes=(("Txt files", "*.txt"), ("All files", "*.*"))
)
if filename:
self.settings_vars["replay_path"].set(filename)
def _start_replay(self):
replay_path = self.settings_vars["replay_path"].get()
if not replay_path:
print_message("Please select a replay log file first")
return
print_message("Starting replay from log file...")
def background_replay():
from logger import LogReplayer
replayer = LogReplayer(replay_path)
replay_args = replayer.parse_log()
replay_args.replay_path = replay_path
# Create a new MainProcess instance with replay_args
main = MainProcess(replay_args, GUI=False)
for k, v in main.full_args.__dict__.items():
print(f"{k}:\t{v}")
# Run the replay on this MainProcess instance
replayer.run_replay(main)
print_done()
self.run_in_background(background_replay)
def _browse_results_file(self):
filename = filedialog.askopenfilename(
title="Select Results File",
filetypes=(("TSV files", "*.tsv"), ("All files", "*.*"))
)
if filename:
self.settings_vars["results_file"].set(filename)
# Set use_current_run to False since we're selecting a specific file
self.settings_vars["use_current_run"].set(False)
def _generate_plots(self):
print_message("Generating visualization plots...")
# Determine which results file to use
results_file = None
if self.settings_vars["use_current_run"].get() and hasattr(self, 'random_id'):
# Use the current run's random ID
results_file = os.path.join(self.settings_vars["results_dir"].get(), f"{self.random_id}.tsv")
print_message(f"Using current run results: {results_file}")
elif self.settings_vars["results_file"].get():
# Use explicitly selected file
results_file = self.settings_vars["results_file"].get()
print_message(f"Using selected results file: {results_file}")
elif self.settings_vars["result_id"].get():
# Use the specified result ID
result_id = self.settings_vars["result_id"].get()
results_file = os.path.join(self.settings_vars["results_dir"].get(), f"{result_id}.tsv")
print_message(f"Using results file for ID {result_id}: {results_file}")
else:
print_message("No results file specified. Please enter a Result ID, browse for a file, or complete a run first.")
return
# Check if the results file exists
if not os.path.exists(results_file):
print_message(f"Results file not found: {results_file}")
return
# Get output directory
output_dir = self.settings_vars["viz_output_dir"].get()
def background_generate_plots():
# Call the plot generation function
print_message(f"Generating plots in {output_dir}...")
create_plots(results_file, output_dir)
print_message("Plots generated successfully!")
print_done()
self.run_in_background(background_generate_plots)
def main():
root = tk.Tk()
app = GUI(root)
print_title("Protify")
root.mainloop()
if __name__ == "__main__":
main()
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