Pinned Repositories
aliyunpan
阿里云盘命令行客户端，支持webdav文件服务
deepHops
source code for deppHop
InteractionGraphNet
InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Prediction and Large-scale Structure-based Virtual Screening
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
PharmaHub
A Comprehensive, Free, and Fast-Responsive Ligand-Based Drug Design Platform
protein-science
A collection of useful tutorials for Protein Science
PyAutoFEP
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
remd-temperature-generator
Temperature generator for Replica Exchange MD simulations
SSTMap
Solvation Structure and Thermodynamic Mapping
lxdre118's Repositories
lxdre118/PharmaHub
A Comprehensive, Free, and Fast-Responsive Ligand-Based Drug Design Platform
lxdre118/aliyunpan
阿里云盘命令行客户端，支持webdav文件服务
lxdre118/deepHops
source code for deppHop
lxdre118/InteractionGraphNet
InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Prediction and Large-scale Structure-based Virtual Screening
lxdre118/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
lxdre118/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
lxdre118/protein-science
A collection of useful tutorials for Protein Science
lxdre118/PyAutoFEP
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
lxdre118/remd-temperature-generator
Temperature generator for Replica Exchange MD simulations
lxdre118/SSTMap
Solvation Structure and Thermodynamic Mapping
lxdre118/Watsite_on-the-fly
Demo code for Watsite_on-the-fly, grid-to-grid mapping approach using U-Nets
lxdre118/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
lxdre118/MD-IFP
MD trajectory analysis using protein-ligand Interaction Fingerprints
lxdre118/MD-TASK
Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
lxdre118/substrate-scope-plot
lxdre118/Uni-Mol
Official Repository for the Uni-Mol Series Methods
lxdre118/Wecha
lxdre118/WechatBot