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boltz-perturb
boltz-perturb PublicUnlocking Generative Diversity in Co-Folding Models via Training-Free Conditioning Perturbation
Python 11
Repositories
- teal-agents Public
- binding-pose-metadynamics Public
Python script to run binding pose metadynamics workflow to score conformational stability of macrocyclic peptides using Desmond in Schrodinger.
- mtag-Spatial_Abx_Manuscript Public
- AbMelt Public
- PepEvolve Public
PepEVOLVE is a reinforcement learning framework for the multi-position optimization of peptide sequences. It combines a pretrained Mol2Mol generative model with a router-learner and a group-relative policy optimization (GRPO) strategy to iteratively evolve peptide candidates toward user-defined physicochemical or biological objectives.
- Pepopt Public
- ovo-proteindj Public
- MRL-MC-Retention Public
Repository for multiple condition retention time modeling (MC-Retention) and Multiple Condition adjusted Retention Time (MCaRT) dataset.
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