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Welcome to the technotes wiki!

github repositories

• exmol: Explaining why that molecule
• evopro: genetic algorithm-based protein binder optimization pipeline using AlphaFold and ProteinMPNN
• chemprop: Message passing neural networks for molecular property prediction.
• admet_ai: ADMET prediction platform that uses Chemprop-RDKit models trained on ADMET datasets from the Therapeutics Data Commons
• datamol: Open-source toolkit that simplifies molecular processing and featurization workflows
• AToM-OpenMM: Alchemical Transfer Method for OpenMM

Online workshops

• ML for protein engineering seminar series
• Valence|Portal