Jin Xiao's repositories
Neural-Network-Models-for-Chemistry
A collection of Nerual Network Models for chemistry
CVHD_tutorial
Collective Variable HyperDynamics install manual
machine-learning-notes
This is the notes of the way of machine learning study. You may find something useful in it.
Practice-for-Cplusplus
Cplusplus pratice
aimdfragmentation
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
Awesome-pytorch-list
A comprehensive list of pytorch related content on github,such as different models,implementations,helper libraries,tutorials etc.
SYMMFUNC
simple symmetry function implementation
ChemPlot
A python package for chemical space visualization.
common-scripts
this is my homework and code essay.so please take it very serious.
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
Eipgen.github.io
my first blog
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
myFM
some thoughts on force matching
ProgrammingProjects
C++ Programming Tutorial in Chemistry
psi4numpy
Combining Psi4 and Numpy for education and development.
PyAmesp
An ASE interface to Amesp
pyberny
Molecular structure optimizer
reacnetgenerator-1
an automatic reaction network generator for reactive molecular dynamics simulation
ReactionType
A work about dealing The reaction generated by ReacNetGen