MSD Inventing for Life
This GitHub's main purpose is to house open source code repositories published by MSD for public use ,research, and for publications outside the United States
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- ovo-proteindj Public
- teal-agents Public
- AbMelt Public
- binding-pose-metadynamics Public
Python script to run binding pose metadynamics workflow to score conformational stability of macrocyclic peptides using Desmond in Schrodinger.
- Pepopt Public
- AnNoBrainer Public
- PyLabDrivers Public
- LabAutoMate 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.
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