truman-xu Goto Github PK
Name: Truman Xu
Type: User
Company: University of Michigan
Bio: Chemistry PhD student in Charles Brooks Lab at the University of Michigan. Certified part-time Wheel Reinventor.
Location: Ann Arbor, MI
Name: Truman Xu
Type: User
Company: University of Michigan
Bio: Chemistry PhD student in Charles Brooks Lab at the University of Michigan. Certified part-time Wheel Reinventor.
Location: Ann Arbor, MI
Verlet's Argon simulation using numpy
AutoDock Vina
Fork of Biopython for CHARMM integration
VS Code extension for CHARMM script syntax highlighting
Utility function and scripts for chem routines
Structure Preparation Routine for Constant Ph MD Simulation using crimm
Docking modules for crimm
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A python module for generating interactive views of chemical spaces.
AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Hierarchical Generation of Molecular Graphs using Structural Motifs
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
OpenMM is a toolkit for molecular simulation using high performance GPU code.
PDB2PQR - Fork for a better integration with CHARMM
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
This repository contains materials for the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24
A Set of Machine Learning Classifiers For RNA Containing Complexes
Reaction Enumeration Using rdkit
Molecular design framework the merges generative AI and molecular docking
Three-dimensional force fields fingerprints
MMTSB Tool Set
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.