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numerical-berry-curvature

Numerical implementation of Berry curvature calculation for tight binding Hamiltonians

nwchem-1

NWChem: Open Source High-Performance Computational Chemistry

omegafold

OmegaFold Release Code

openfold

Trainable PyTorch reproduction of AlphaFold 2

performanceanalysis

Performance Analysis

pocketgen

protein-sequence-models

proteinmpnn

Code for the ProteinMPNN paper

pysurvival

Open source package for Survival Analysis modeling

reference-learning

replknet-pytorch

Scaling Up Your Kernels to 31x31: Revisiting Large Kernel Design in CNNs (CVPR 2022)

set_functions_for_time_series

Repository of the ICML 2020 paper "Set Functions for Time Series"

shap

A unified approach to explain the output of any machine learning model.

siamdiff

Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)

stagenet

Source code for StageNet: Stage-Aware Neural Networks for Health Risk Prediction

supervised-learning-of-many-body-localization

A simple neural network structure to classify many-body localized (MBL) and thermalized phases

taper-ehr

Patient Code & Text Representation Learning

targetdiff

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

vime

Codebase for VIME: Extending the Success of Self- and Semi-supervised Learning to Tabular Domain - NeurIPS 2020