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ANTIPASTI (ANTIbody Predictor of Affinity from STructural Information) is a Deep Learning model that predicts the binding affinity of antibodies from their three-dimensional structure.
DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations
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Python package for Geometric / Clifford Algebra with TensorFlow
Optimization with Constraint Learning (OCL) Lab
The official implementation for Pseudo Numerical Methods for Diffusion Models on Manifolds (PNDM, PLMS | ICLR2022)
Repo to the paper "Message Passing Neural PDE Solvers"
PDEBench: An Extensive Benchmark for Scientific Machine Learning