njzjz

dprc-tutorial

DPRc tutorial

TianChi_Protein-Secondary-Structure-Prediction

天池蛋白质结构预测大赛 排名3/241

404page

actions

Run tox-conda as a GitHub action

deepmodeling-blog

The Deep Modeling Blog

deepmodeling_sphinx

dflow

docker-amberdprc

Docker for Amber DPRc

docs

dpdispatcher

dpti

horovod

Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.

JSNetworkX

Build, process and analyze graphs in JavaScript (port of NetworkX)

mock-ssh-server

Python mock SSH server for testing purposes

pytorch_sphinx_theme

PyTorch Sphinx Theme

tutorials

Tutorials for DeepModeling projects.

workshop-july-2022

Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

A_Python_A_Day

A Python a day, makes you learn and master Python!

admin-requests

ambertools-feedstock

A conda-smithy repository for ambertools.

conda-forge-pinning-feedstock

A conda-smithy repository for conda-forge-pinning.

dftbplus-feedstock

A conda-smithy repository for dftbplus.

dpgen-feedstock

A conda-smithy repository for dpgen.

Monte-Carlo-for-NIR-II-Imaging

ParmEd

Parameter/topology editor and molecular simulator

pymatgen-analysis-defects-feedstock

A conda-smithy repository for pymatgen-analysis-defects.

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

QEqFragmentation

QEq fragmentation calculation study. Note: Fragmentation does not accelerate the calculation of QEq.

sphinx

The Sphinx documentation generator

xtb-python

Python API for the extended tight binding program package