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abacus-r

A Model for designing protein sequences

caduceus

Bi-Directional Equivariant Long-Range DNA Sequence Modeling

cgnet

learning coarse-grained force fields

coarse-graining-auto-encoders

coarsegrainingvae

Geometric super-resolution for molecular geometries

deepbackmap

equifold

Official code repository for EquiFold

equifold_try

Attempt at implementing EquiFold and Equiformer

equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

evo

DNA foundation modeling from molecular to genome scale

gearnet

GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)

juicer

A One-Click System for Analyzing Loop-Resolution Hi-C Experiments

lammps

Public development project of the LAMMPS MD software package

mindspore

MindSpore is a new open source deep learning training/inference framework that could be used for mobile, edge and cloud scenarios.

neurips19-graph-protein-design

Generative Models for Graph-Based Protein Design

proteingcn

ProteinGCN: Protein model quality assessment using Graph Convolutional Networks

resformer

Official PyTorch implementation of ResFormer: Scaling ViTs with Multi-Resolution Training, CVPR2023

scftpy

A python package for performing polymer self-consistent field theory calculations.

structure-factors

calcualte structure factors (Sq) for polymer bulk system

swin-transformer

This is an official implementation for "Swin Transformer: Hierarchical Vision Transformer using Shifted Windows".

torchmd-cg

Example to fit parameters and run CG simulations using TorchMD and Schnet

torchmd-net

Neural network potentials based on graph neural networks and equivariant transformers