somous-jhzhao Goto Github PK
Name: Jihui Zhao
Type: User
Company: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Location: No. 555 Rd. Zuchongzhi, Shanghai, China
Name: Jihui Zhao
Type: User
Company: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Location: No. 555 Rd. Zuchongzhi, Shanghai, China
Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
[Work in progress] An extensive validation suite for the OpenMM molecular simulation library.
Comparisons of energies and forces between OpenMM and other packages
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
A simple python script to extract the "phi/psi" torsion angles for a protein data bank file.
PDB Metal Stats
Results of PDB-wide metal analyses
a collection of scripts and files to help in PDB retrieval for various projects
A python script for generating configurations in simple potential energy surface scans
Python Library for learning (Structure and Parameter) and inference (Statistical and Causal) in Bayesian Networks.
Modificação da Bioblioteca implementada em python Pgmpy, adicionando alguns recursos como Redes Bayesianas Dinâmicas e adição de conhecimento biológico a priori nas funções de pontuação BIC e BDeu.
Short Tutorial to Probabilistic Graphical Models(PGM) and pgmpy
Python Modeling Interface
A toy pdb reader, analyzer, and bond rotater
Pipeline for protein folding using distance and torsion restraints from an amino acid sequence; AmberTools18 wrapped in Python
OpenMM testbed for constant-pH methodologies.
Templates for running protons simulations
Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."
Thermal and photochemical reaction path optimization and discovery
PyHessian is a Pytorch library for second-order based analysis and training of Neural Networks
Python implementation of the multistate Bennett acceptance ratio (MBAR)
A code to generate crystal structure
QM/MM hydration free energy playground
datasets to accompany the paper "What does the machine learn? Knowledge representations of chemical reactivity"
A Data Package which is a database of public and private registers of clinical trials.
Ring-opening strategy for FEP.
Fast gradients for receptor-ligand RMSD
Dual topology alchemical free energies
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.