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v1.6.0

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@martinez-zacharya martinez-zacharya released this 11 Mar 23:07
· 281 commits to main since this release
7390008
  • Fixed some bugs relating to classify having to do with integer input parameters being read as strings.
  • When finetuning ESM2 you can now change the masking proportion with --mask_fraction 0.25 with the default set to 0.15, which is common in the literature.
  • Added GeoDock, a deep-learning based method for protein-protein docking
  • Full MD simulations can now be done with an input pdb file. This is very experimental, so please let me know your experience and if you run into issues!