Pinned Repositories
deepmd-gnn
DeePMD-kit plugin for various graph neural network models
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpdata
A Python package for manipulating atomistic data of software in computational science
dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
2018CUMCM-B
2018 CUMCM (Contemporary Undergraduate Mathematical Contest in Modeling) - Probelm B (Chinese)
ecnunetwork
A script to connect to the Internet at East China Normal University.
openbabel-wheel
zhihubackup
退乎前备份知乎回答
mddatasetbuilder
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
njzjz's Repositories
njzjz/gdriveupload
Transfer files from China
njzjz/dprc-tutorial
DPRc tutorial
njzjz/kconmd
Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon).
njzjz/mddatasetbuilder
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
njzjz/addons
Useful extra functionality for TensorFlow 2.x maintained by SIG-addons
njzjz/deepmd-kit-feedstock-deepmodeling
A conda-smithy repository for deepmd-kit.
njzjz/dpdispatcher
njzjz/dpgen2
njzjz/gist
A repository instead of Gist since Gist is not available in China...
njzjz/horovod
Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.
njzjz/lammps-feedstock
A conda-smithy repository for lammps.
njzjz/libdeepmd-feedstock
A conda-smithy repository for libdeepmd.
njzjz/pbsmonitor
A PBS job monitor powered by CoolQ, which can send states of Portable Batch System to QQ.
njzjz/tongzhugroup.github.io
njzjz/tutorials
Tutorials for DeepModeling projects.
njzjz/tutorials-cn
njzjz/cmake-python-distributions
This project provides the infrastructure to build CMake Python wheels.
njzjz/conda-forge-repodata-patches-feedstock
A conda-smithy repository for conda-forge-repodata-patches.
njzjz/conda-forge.github.io
The conda-forge website.
njzjz/docs-1
The open-source repo for docs.github.com
njzjz/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
njzjz/gh-action-tox
Run tox as a Github Action
njzjz/mdtraj
An open library for the analysis of molecular dynamics trajectories
njzjz/nodejs-pypi
Project to repackage Node.js releases as Python binary wheels for distribution via PyPI
njzjz/pip
The Python package installer
njzjz/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
njzjz/setuptools_scm
the blessed package to manage your versions by scm tags
njzjz/typeshed
Collection of library stubs for Python, with static types
njzjz/xtb
Semiempirical Extended Tight-Binding Program Package
njzjz/xtb-python
Python API for the extended tight binding program package