senppoa Goto Github PK
Name: Tang Kun
Type: User
Name: Tang Kun
Type: User
Build neural networks for machine learning force fields with JAX
code for single-ended and double-ended molecular GSM
A Python package for calculating molecular features
n2p2 - A Neural Network Potential Package
Nudged-Elastic Band implementation in python
NEST Volume
Neural Network Force Field based on PyTorch
A Newtonian message passing network for deep learning of interatomic potentials and forces
Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble
An object-aware diffusion model for generating chemical reactions
List of molecular design using Generative AI and Deep Learning
Pareto Lighthouse Multiobjective Genetic Algorithm for the de novo design of transition metal complexes.
PSEvolve is a graph-based genetic algorithm for molecular design
A program for ab initio molecular dynamics
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Thermal and photochemical reaction path optimization and discovery
Kolmogorov Arnold Networks
Python package for working with multiscale simulation data.
Quick Reaction Coordinate using Python
PyTorch tutorials and fun projects including neural talk, neural style, poem writing, anime generation (《深度学习框架PyTorch:入门与实战》)
PyTorch Tutorial for Deep Learning Researchers
Quantum to Molecular Mechanics (Q2MM)
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge
Python wrapper for the IBM RXN for Chemistry API
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.