Update README.md
Browse files
README.md
CHANGED
|
@@ -7,14 +7,6 @@ tags:
|
|
| 7 |
|
| 8 |
__Purpose__: classifies protein sequence into Thermophilic (> 60C) or Mesophilic (<40C) by host organism growth temperature.
|
| 9 |
|
| 10 |
-
__Training__:
|
| 11 |
-
ProteinBERT (Rostlab/prot_bert) was fine tuned on a class balanced version of learn2therm (see [here]()), about 250k protein amino acid sequences.
|
| 12 |
-
|
| 13 |
-
Training parameters below:
|
| 14 |
-
TODO
|
| 15 |
-
|
| 16 |
-
See the [training repository](https://github.com/BeckResearchLab/learn2thermML) for code.
|
| 17 |
-
|
| 18 |
__Usage__:
|
| 19 |
Prepare sequences identically to using the original pretrained model:
|
| 20 |
|
|
@@ -30,4 +22,118 @@ encoded_input = tokenizer(sequence_Example, return_tensors='pt')
|
|
| 30 |
output = torch.argmax(model(**encoded_input), dim=1)
|
| 31 |
```
|
| 32 |
|
| 33 |
-
1 indicates thermophilic, 0 mesophilic.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 7 |
|
| 8 |
__Purpose__: classifies protein sequence into Thermophilic (> 60C) or Mesophilic (<40C) by host organism growth temperature.
|
| 9 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 10 |
__Usage__:
|
| 11 |
Prepare sequences identically to using the original pretrained model:
|
| 12 |
|
|
|
|
| 22 |
output = torch.argmax(model(**encoded_input), dim=1)
|
| 23 |
```
|
| 24 |
|
| 25 |
+
1 indicates thermophilic, 0 mesophilic.
|
| 26 |
+
|
| 27 |
+
__Training__:
|
| 28 |
+
ProteinBERT (Rostlab/prot_bert) was fine tuned on a class balanced version of learn2therm (see [here]()), about 250k protein amino acid sequences.
|
| 29 |
+
|
| 30 |
+
Training parameters below:
|
| 31 |
+
TrainingArguments(
|
| 32 |
+
_n_gpu=1,
|
| 33 |
+
adafactor=False,
|
| 34 |
+
adam_beta1=0.9,
|
| 35 |
+
adam_beta2=0.999,
|
| 36 |
+
adam_epsilon=1e-08,
|
| 37 |
+
auto_find_batch_size=False,
|
| 38 |
+
bf16=False,
|
| 39 |
+
bf16_full_eval=False,
|
| 40 |
+
data_seed=None,
|
| 41 |
+
dataloader_drop_last=False,
|
| 42 |
+
dataloader_num_workers=0,
|
| 43 |
+
dataloader_pin_memory=True,
|
| 44 |
+
ddp_bucket_cap_mb=None,
|
| 45 |
+
ddp_find_unused_parameters=None,
|
| 46 |
+
ddp_timeout=1800,
|
| 47 |
+
debug=[],
|
| 48 |
+
deepspeed=None,
|
| 49 |
+
disable_tqdm=False,
|
| 50 |
+
do_eval=True,
|
| 51 |
+
do_predict=False,
|
| 52 |
+
do_train=True,
|
| 53 |
+
eval_accumulation_steps=25,
|
| 54 |
+
eval_delay=0,
|
| 55 |
+
eval_steps=6,
|
| 56 |
+
evaluation_strategy=steps,
|
| 57 |
+
fp16=True,
|
| 58 |
+
fp16_backend=auto,
|
| 59 |
+
fp16_full_eval=False,
|
| 60 |
+
fp16_opt_level=O1,
|
| 61 |
+
fsdp=[],
|
| 62 |
+
fsdp_min_num_params=0,
|
| 63 |
+
fsdp_transformer_layer_cls_to_wrap=None,
|
| 64 |
+
full_determinism=False,
|
| 65 |
+
gradient_accumulation_steps=25,
|
| 66 |
+
gradient_checkpointing=True,
|
| 67 |
+
greater_is_better=False,
|
| 68 |
+
group_by_length=False,
|
| 69 |
+
half_precision_backend=cuda_amp,
|
| 70 |
+
hub_model_id=None,
|
| 71 |
+
hub_private_repo=False,
|
| 72 |
+
hub_strategy=every_save,
|
| 73 |
+
hub_token=<HUB_TOKEN>,
|
| 74 |
+
ignore_data_skip=False,
|
| 75 |
+
include_inputs_for_metrics=False,
|
| 76 |
+
jit_mode_eval=False,
|
| 77 |
+
label_names=None,
|
| 78 |
+
label_smoothing_factor=0.0,
|
| 79 |
+
learning_rate=5e-05,
|
| 80 |
+
length_column_name=length,
|
| 81 |
+
load_best_model_at_end=True,
|
| 82 |
+
local_rank=0,
|
| 83 |
+
log_level=info,
|
| 84 |
+
log_level_replica=passive,
|
| 85 |
+
log_on_each_node=True,
|
| 86 |
+
logging_dir=./data/ogt_protein_classifier/model/runs/Jun19_12-16-35_g3070,
|
| 87 |
+
logging_first_step=False,
|
| 88 |
+
logging_nan_inf_filter=True,
|
| 89 |
+
logging_steps=1,
|
| 90 |
+
logging_strategy=steps,
|
| 91 |
+
lr_scheduler_type=linear,
|
| 92 |
+
max_grad_norm=1.0,
|
| 93 |
+
max_steps=-1,
|
| 94 |
+
metric_for_best_model=loss,
|
| 95 |
+
mp_parameters=,
|
| 96 |
+
no_cuda=False,
|
| 97 |
+
num_train_epochs=2,
|
| 98 |
+
optim=adamw_hf,
|
| 99 |
+
optim_args=None,
|
| 100 |
+
output_dir=./data/ogt_protein_classifier/model,
|
| 101 |
+
overwrite_output_dir=False,
|
| 102 |
+
past_index=-1,
|
| 103 |
+
per_device_eval_batch_size=32,
|
| 104 |
+
per_device_train_batch_size=32,
|
| 105 |
+
prediction_loss_only=False,
|
| 106 |
+
push_to_hub=False,
|
| 107 |
+
push_to_hub_model_id=None,
|
| 108 |
+
push_to_hub_organization=None,
|
| 109 |
+
push_to_hub_token=<PUSH_TO_HUB_TOKEN>,
|
| 110 |
+
ray_scope=last,
|
| 111 |
+
remove_unused_columns=True,
|
| 112 |
+
report_to=['tensorboard', 'codecarbon'],
|
| 113 |
+
resume_from_checkpoint=None,
|
| 114 |
+
run_name=./data/ogt_protein_classifier/model,
|
| 115 |
+
save_on_each_node=False,
|
| 116 |
+
save_steps=6,
|
| 117 |
+
save_strategy=steps,
|
| 118 |
+
save_total_limit=None,
|
| 119 |
+
seed=42,
|
| 120 |
+
sharded_ddp=[],
|
| 121 |
+
skip_memory_metrics=True,
|
| 122 |
+
tf32=None,
|
| 123 |
+
torch_compile=False,
|
| 124 |
+
torch_compile_backend=None,
|
| 125 |
+
torch_compile_mode=None,
|
| 126 |
+
torchdynamo=None,
|
| 127 |
+
tpu_metrics_debug=False,
|
| 128 |
+
tpu_num_cores=None,
|
| 129 |
+
use_ipex=False,
|
| 130 |
+
use_legacy_prediction_loop=False,
|
| 131 |
+
use_mps_device=False,
|
| 132 |
+
warmup_ratio=0.0,
|
| 133 |
+
warmup_steps=0,
|
| 134 |
+
weight_decay=0.0,
|
| 135 |
+
xpu_backend=None,
|
| 136 |
+
)
|
| 137 |
+
|
| 138 |
+
|
| 139 |
+
See the [training repository](https://github.com/BeckResearchLab/learn2thermML) for code.
|