Pinned Repositories
DeepAccNet
Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
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
NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
torch-gauge
A light-weight PyTorch extension for equivariant deep learning
Water-Graphene-Binary
Thermodynamics, structure and dynamics of water confined in graphene-based nanocapillaries
zrqiao.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
zrqiao's Repositories
zrqiao/NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
zrqiao/torch-gauge
A light-weight PyTorch extension for equivariant deep learning
zrqiao/zrqiao.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
zrqiao/Water-Graphene-Binary
Thermodynamics, structure and dynamics of water confined in graphene-based nanocapillaries
zrqiao/DeepAccNet
Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.
zrqiao/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
zrqiao/fp-msmbuilder
A modified version of MSMBuilder for efficient estimation of 1D free energy surface from MD trajectories.
zrqiao/FrEIA
Framework for Easily Invertible Architectures
zrqiao/GB_GA
Graph-based genetic algorithm
zrqiao/GenoFold
A genetic algorithm and MSM based approach to predict co-transcriptional folding kinetics
zrqiao/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
zrqiao/pdbfixer
PDBFixer fixes problems in PDB files
zrqiao/ProDy
A Python Package for Protein Dynamics Analysis
zrqiao/pypdb
A Python API for the RCSB Protein Data Bank (PDB)
zrqiao/2018QC-Project-Ab-initio-wavefunction-program
zrqiao/dimenet
DimeNet model, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020)
zrqiao/e3nn
A modular framework for neural networks with Euclidean symmetry
zrqiao/esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
zrqiao/extension-cpp
C++ extensions in PyTorch
zrqiao/Folding_Transition_Path_Sampling
zrqiao/GGL
GenomeGeometricLearning
zrqiao/icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
zrqiao/ising-gpu
GPU-accelerated Monte Carlo simulations of 2D Ising Model
zrqiao/localcolabfold
ColabFold on your local PC
zrqiao/NESS-FCS
Non-equilibrium steady-state FCS formalism
zrqiao/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
zrqiao/power_spherical
Pytorch implementation of the Power Spherical distribution
zrqiao/quantum-native-dojo
量子コンピュータ初学者のための自習教材
zrqiao/SOBER
Fast Bayesian optimization, quadrature, inference over arbitrary domain with GPU parallel acceleration
zrqiao/transformers
🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.