Pinned Repositories
awesome-python-cn
Python资源大全中文版，包括：Web框架、网络爬虫、模板引擎、数据库、数据可视化、图片处理等，由伯乐在线持续更新。
baidupcsapi
百度网盘api
deepchembook
deepchem实践教程
Front-end-tutorial
:panda_face:最全的资源教程-前端涉及的所有知识体系
Mojo-Qzone
obabelpdb2mol2
pdb2mol2APP借助openbabel把pdb文件转换成mol2文件的网络服务。
perl-
用于存放perl程序员微信公众号的内容
PySASA
计算溶剂可接触表面积
QM
some tools and templates for QM calculations
RDKitBook_zhCN
RDKit中文教程
autodataming's Repositories
autodataming/RDKitBook_zhCN
RDKit中文教程
autodataming/QM
some tools and templates for QM calculations
autodataming/deepchembook
deepchem实践教程
autodataming/obabelpdb2mol2
pdb2mol2APP借助openbabel把pdb文件转换成mol2文件的网络服务。
autodataming/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
autodataming/SMILES-enumeration
SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
autodataming/academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
autodataming/alipay
Python Alipay SDK with SHA1/SHA256 support
autodataming/ASKCOS
autodataming/celeryDemo
autodataming/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
autodataming/dgl-lifesci
Graph neural networks for chemistry and biology
autodataming/django-registration
An extensible user-registration app for Django.
autodataming/Generate-novel-molecules-with-LSTM
Novel molecules generation with LSTM
autodataming/generative-models-for-molecules
Overview of published generative models that produce molecules
autodataming/hexo-theme-indigo
一个Material Design风格的Hexo主题。 https://imys.net/ 备用:
autodataming/jabba
(cross-platform) Java Version Manager
autodataming/jamdocs
JamDocs is a web interface for Sphinx documentation generator built with Jam.py
autodataming/onedrive
#1 Free OneDrive Client for Linux
autodataming/OpenNMT-py
Open Source Neural Machine Translation in PyTorch
autodataming/payjs_faka
这个是基于payjs的发卡平台。
autodataming/rdkit
The official sources for the RDKit library
autodataming/rdkit_summary
rdkit总结与实践
autodataming/reactivity_predictions_substitution
Platforms to predict reactivity for substitution reactions.
autodataming/sample_ternary_dihedral
Sampling dihedral for non-crash E2/POI-contacting conformation in E3 ternary complex
autodataming/sciencenetBlog
科学网博客搬家
autodataming/SECSE
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
autodataming/SSTMap
Solvation Structure and Thermodynamic Mapping
autodataming/VFTools
autodataming/VFVS
VirtualFlow for Virtual Screening