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1. NeuralPLexer NeuralPLexer Public

   NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

   Jupyter Notebook 316 75

2. torch-gauge torch-gauge Public

   A light-weight PyTorch extension for equivariant deep learning

   Python 18 9

3. zrqiao.github.io zrqiao.github.io Public

   Forked from alshedivat/al-folio

   A beautiful, simple, clean, and responsive Jekyll theme for academics

   JavaScript 10 3

4. Water-Graphene-Binary Water-Graphene-Binary Public

   Thermodynamics, structure and dynamics of water confined in graphene-based nanocapillaries

   C++ 3