sha256feng
Aspiring computational structural biologist and machine learning passionist.
Bethlehem, PA, US
Pinned Repositories
a-sample-lipid-simulation
A lipid assembly for MD simulation produced by CHARMM-GUI website
Autodock-vina-example
A simple tutorial for using Autodock Vina to find the ligand binding pose
cryo-em-processing
Script and operations for processing EM data
dockerfile-charmm
A Dockerfile repository for using CHARMM in Docker container
dockerfile-openmm-cuda
Dockerfile for GPU-supported OpenMM in Docker containers
LanczosNetwork
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
Model-long-missing-loop
This repository contains code and examples to model multiple missing loops in tetrameric protein.
paper_boltzmann_generators
protein-sequence-embedding-iclr2019
Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
sha256feng's Repositories
sha256feng/mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
sha256feng/Autodock-vina-example
A simple tutorial for using Autodock Vina to find the ligand binding pose
sha256feng/paper_boltzmann_generators
sha256feng/dockerfile-charmm
A Dockerfile repository for using CHARMM in Docker container
sha256feng/dockerfile-openmm-cuda
Dockerfile for GPU-supported OpenMM in Docker containers
sha256feng/a-sample-lipid-simulation
A lipid assembly for MD simulation produced by CHARMM-GUI website
sha256feng/cryo-em-processing
Script and operations for processing EM data
sha256feng/Model-long-missing-loop
This repository contains code and examples to model multiple missing loops in tetrameric protein.
sha256feng/awesome-mol-gen-comp-chem
Awesome papers related to generative molecular modeling and design from computational chemistry perspective
sha256feng/chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
sha256feng/chatgpt-on-wechat
sha256feng/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
sha256feng/LanczosNetwork
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
sha256feng/md-traj-lipid-residence
sha256feng/ProDy
A Python Package for Protein Dynamics Analysis
sha256feng/protein-sequence-embedding-iclr2019
Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
sha256feng/ProtTrans
ProtTrans is providing state of the art pre-trained models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
sha256feng/rl-paper-on-mol-gene
Reinforcement learning papers on molecular generation in particular
sha256feng/whynot
A Python sandbox for decision making in dynamics
sha256feng/426ml
ndcg opt
sha256feng/Alchemy
sha256feng/AlphaZero_Connect4
PyTorch implementation of AlphaZero Connect from scratch (with results)
sha256feng/alphazero_ultimate_tictactoe
sha256feng/Awesome-Bio-ML-PKU
sha256feng/For-sharing
For sharing my jupyter notebook materials and scripts
sha256feng/GREMLIN_CPP
GREMLIN - learn MRF/potts model from input multiple sequence alignment! Implementation now available in C++ and Tensorflow/Python!
sha256feng/install_pytorch
Install PyTorch with GPU support on HPC
sha256feng/mk8-isoprenoid-arch-memb
Repository that contains parameter files for MK-8 head group and isoprenoid tails
sha256feng/pygcn
Graph Convolutional Networks in PyTorch
sha256feng/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.