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MoleRec. The official implementation of our paper "MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning" (TheWebConf 2023).

MoleOOD. Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022).

MFDesign. Official implementation for our paper: Repurposing AlphaFold3-like Protein Folding Models for Antibody Sequence and Structure Co-design

awesome-python-chemistry. A curated list of Python packages related to chemistry

deeplearning-biology. A list of deep learning implementations in biology

MorphGrower.