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molegen

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Add SMILES input from user, add random zinc sample, and clean up features
9813990
Running

j-silv commited on

Add nav bar to top so that it takes up less space when embed
a80d42a

j-silv commited on

Add libxrender dependency with Docker for rdkit
e258fb5

j-silv commited on

Heavily refactor data.py and add initial attempt at molecule viewer
19a83fd

j-silv commited on

Fix README
f1fde68

j-silv commited on

Remove png file since it is already hosted on my portfolio website
5c136c0

j-silv commited on

Pivot to use streamlit as a multipage widget app
a06de84

j-silv commited on

Remove embed and just have link to hugging face space
a96553d

j-silv commited on

Test adding the embed to the README
4fa0620

j-silv commited on

Add some text to test integration with my portfolio website, github, and HF
0bae240

j-silv commited on

Add fake commit to force push and test github action
02eac29

j-silv commited on

Add GitHub action to push to HF
9b26b2e

j-silv commited on

Add files from HF space
d5963e8

j-silv commited on

Add jupyter notebook
54d2781

j-silv commited on

Attempt VAE implementation
303f9a4

j-silv commited on

Fix debugging output
a882f9a

j-silv commited on

Add graph_id to track Data object, and add positional encoding
85d69c9

j-silv commited on

Fix bug missing sigmoid, refactor code, and add docstrings
9467393

j-silv commited on

Add some debug functions but it seems that I might be doing something wrong
54ba8ca

j-silv commited on

Add edge probability step and add to loss
b6ef829

j-silv commited on

Add rest of training loop and verify we can overfit
e4ccec1

j-silv commited on

Add bag of atom labels
8a3a325

j-silv commited on

Add up to MLP in original paper
11324ad

j-silv commited on