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2018qc-project-ab-initio-wavefunction-program

ali-oss

aliyun OSS(open storage service) nodejs client

bootstrap

The most popular HTML, CSS, and JavaScript framework for developing responsive, mobile first projects on the web.

deep-residual-networks

Deep Residual Learning for Image Recognition

deepaccnet

Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

dimenet

DimeNet model, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020)

e3nn

A modular framework for neural networks with Euclidean symmetry

electron

Build cross platform desktop apps with JavaScript, HTML, and CSS

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

extension-cpp

C++ extensions in PyTorch

folding_transition_path_sampling

fp-msmbuilder

A modified version of MSMBuilder for efficient estimation of 1D free energy surface from MD trajectories.

freia

Framework for Easily Invertible Architectures

gb_ga

Graph-based genetic algorithm

genofold

A genetic algorithm and MSM based approach to predict co-transcriptional folding kinetics

ggl

GenomeGeometricLearning

hello-world

icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

ising-gpu

GPU-accelerated Monte Carlo simulations of 2D Ising Model

localcolabfold

ColabFold on your local PC

mathematics_in_chemistry_2018_spring_pku

北京大学化学学院2018春 化学中的数学 课程上机内容

mm_18_hmm_for_fret

ness-fcs

Non-equilibrium steady-state FCS formalism

neuralplexer

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

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

pdbfixer

PDBFixer fixes problems in PDB files

plumed2

Development version of plumed 2

plumed2_its

The integrated tempering sampling as a bias in PLUMED2