Commits

Commits on Feb 1, 2024

fixed bug in batched RL where the it mixed the last batch with the first batch of rewards and ignored all other batches
Eyal Mazuz
committedFeb 1, 2024

Commits on Oct 29, 2023

Update README.md
eyalmazuz
committedOct 29, 2023

Commits on Oct 18, 2023

added models
Eyal Mazuz
committedOct 18, 2023

Commits on Oct 17, 2023

added pIC50 data
Eyal Mazuz
committedOct 17, 2023
fixed bugs
eyalmazuz
committedOct 17, 2023

Commits on Aug 31, 2023

split batched RL, added support for BPE tokenizers and fixed bugs
eyalmazuz
committedAug 31, 2023

Commits on Aug 22, 2023

Working docking reward function, and some bug fixes
eyalmazuz
committedAug 22, 2023

Commits on Aug 21, 2023

Added initial support for molecular docking
eyalmazuz
committedAug 21, 2023
Merge branch 'master' of github.com:eyalmazuz/MolGen
eyalmazuz
committedAug 21, 2023

Commits on Jul 6, 2023

Update README.md
eyalmazuz
committedJul 6, 2023

Commits on May 31, 2023

added tokenizers
Eyal Mazuz
committedMay 31, 2023
update git ignore
Eyal Mazuz
committedMay 31, 2023
fixed tokenizer issues and updated to latest code
Eyal Mazuz
committedMay 31, 2023
fixed tokenizer bug and added updated code with working BPE tokenizer
eyalmazuz
committedMay 31, 2023

Commits on May 22, 2023

Create LICENSE
eyalmazuz
committedMay 22, 2023
Change License
eyalmazuz
committedMay 22, 2023

Commits on Sep 22, 2022

fixed small bug in the calculation of diversity and novelty. Added count of valid smiles to stats json
eyalmazuz
committedSep 22, 2022

Commits on Sep 21, 2022

Fixed minor bug in evaluate when using single reward
eyalmazuz
committedSep 21, 2022

Commits on Sep 20, 2022

changed so smiles would be saved as CSV together with the rewards
eyalmazuz
committedSep 20, 2022
Fixed bugs in the new rewards
eyalmazuz
committedSep 20, 2022
Changed QED reward to the new format and added a similarity based reward
eyalmazuz
committedSep 20, 2022

Commits on Sep 17, 2022

removed unsued code
eyalmazuz
committedSep 17, 2022

Commits on Sep 15, 2022

Fixed various bugs in the multi reward implementation
eyalmazuz
committedSep 15, 2022
Added support to multiple rewards during thre reinforcement learning state
eyalmazuz
committedSep 15, 2022
changes
eyalmazuz
committedSep 15, 2022

Commits on Mar 27, 2022

Merge branch 'master' of github.com:eyalmazuz/MolGen
eyalmazuz
committedMar 27, 2022
fixes several bugs related to the parser
eyalmazuz
committedMar 27, 2022

Commits on Mar 25, 2022

Create LICENSE
eyalmazuz
committedMar 25, 2022
Update README.md
eyalmazuz
committedMar 25, 2022
Update README.md
eyalmazuz
committedMar 25, 2022
updated the code to use argparse
eyalmazuz
committedMar 25, 2022

Commits on Mar 2, 2022

property predictor
eyalmazuz
committedMar 2, 2022
fixed test
eyalmazuz
committedMar 2, 2022
added constrained optimization
eyalmazuz
committedMar 2, 2022

Commits on Nov 18, 2021

Merge branch 'multi_sample'
eyalmazuz
committedNov 18, 2021