leucinw Goto Github PK
Name: Chengwen Liu
Type: User
Company: University of Texas
Bio: Developing AMOEBA+ model for Biomolecular Simulations
Twitter: leucinw
Location: Austin
Name: Chengwen Liu
Type: User
Company: University of Texas
Bio: Developing AMOEBA+ model for Biomolecular Simulations
Twitter: leucinw
Location: Austin
Open source code for AlphaFold.
Free energy simulator with Tinker software packages
A collection of awesome markdown goodies (libraries, services, editors, tools, cheatsheets, etc.)
A PyTorch implementation of "Molecule Property Prediction based on Spatial Graph Embedding"
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
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Tools for Computational Chemistry tasks
Collections of light programs for molecular docking simulations
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Systematic force field optimization.
ForceBalance from Lee-Ping Wang, customized version for AMOEBA+ development based on v1.3.2
Fragment molecules for quantum mechanics torsion scans
Experimental and calculated small molecule hydration free energies
Generative Tensorial Reinforcement Learning (GENTRL) model
Graph Inference on MoLEcular Topology
Graph neural networks for molecular design.
Code for the Make Your Own Neural Network book
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
The National Gallery of Art Open Data Program
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Code for training PhysNet models
Documentation
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
Minimal tutorials for PyTorch
PyTorch Tutorials from my YouTube channel
Developing a quantum database that can be used to parametrize AMOEBA+ polarizable force field
Realtek RTL8811CU/RTL8821CU USB Wi-Fi adapter driver for Linux
SchNetPack - Deep Neural Networks for Atomistic Systems
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ 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. ๐๐๐
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 โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.