Eipgen

PhD@ECNU in Theo.&Comput. Chemistry

East China Normal University @ecnuShangHai

Pinned Repositories

CVHD_tutorial
Collective Variable HyperDynamics install manual
Language:xBase3 3 31
DNAcode
CNN codes make the DNA operation parameter
Language:Jupyter Notebook1 1 02
Eipgen
1 1 00
Learning
practice for coding
Language:Jupyter Notebook1 1 10
machine-learning-notes
This is the notes of the way of machine learning study. You may find something useful in it.
1 0 00
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Language:Python1 0 00
Neural-Network-Models-for-Chemistry
A collection of Nerual Network Models for chemistry
118 5 217
pyqeq
simple implementation code with Qeq
Language:Python5 0 00
QM9-Benchmark-record
A update QM9 benchmark, update form the recent articles
0 1 10
SYMMFUNC
simple symmetry function implementation
Language:Python0 1 10

Eipgen's Repositories

Eipgen/Neural-Network-Models-for-Chemistry
A collection of Nerual Network Models for chemistry
118 5 217
Eipgen/pyqeq
simple implementation code with Qeq
Language:Python5 0 00
Eipgen/CVHD_tutorial
Collective Variable HyperDynamics install manual
Language:xBase3 3 31
Eipgen/DNAcode
CNN codes make the DNA operation parameter
Language:Jupyter Notebook1 1 02
Eipgen/Eipgen
1 1 00
Eipgen/Learning
practice for coding
Language:Jupyter Notebook1 1 10
Eipgen/machine-learning-notes
This is the notes of the way of machine learning study. You may find something useful in it.
1 0 00
Eipgen/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Language:Python1 0 00
Eipgen/Practice-for-Cplusplus
Cplusplus pratice
Language:C++1 0 00
Eipgen/programcollect
Language:Python1 1 0
Eipgen/aimdfragmentation
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
Language:Python0 0 00
Eipgen/Awesome-pytorch-list
A comprehensive list of pytorch related content on github,such as different models,implementations,helper libraries,tutorials etc.
0 0 00
Eipgen/QM9-Benchmark-record
A update QM9 benchmark, update form the recent articles
0 1 10
Eipgen/SYMMFUNC
simple symmetry function implementation
Language:Python0 1 10
Eipgen/ChemPlot
A python package for chemical space visualization.
Language:Jupyter Notebook0 0
Eipgen/common-scripts
this is my homework and code essay.so please take it very serious.
Language:Jupyter Notebook0 0
Eipgen/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
Language:Python0 0
Eipgen/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Language:C++0 0
Eipgen/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
Language:Jupyter Notebook0 0
Eipgen/Eipgen.github.io
my first blog
Language:HTML1 0
Eipgen/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter Notebook0 0
Eipgen/Metal-MFCC
update one
Language:Fortran0 0
Eipgen/ProgrammingProjects
C++ Programming Tutorial in Chemistry
Language:C++0 0
Eipgen/psi4numpy
Combining Psi4 and Numpy for education and development.
Language:Jupyter Notebook0 0
Eipgen/PyAmesp
An ASE interface to Amesp
Language:Python0 0
Eipgen/pyberny
Molecular structure optimizer
Language:Python0 0
Eipgen/pykan
Kolmogorov Arnold Networks
Eipgen/python-parallel-programming
Language:Python1 0
Eipgen/reacnetgenerator-1
an automatic reaction network generator for reactive molecular dynamics simulation
Language:Python0 0
Eipgen/weather
practices algorithms in python
Language:Python0 1