dalong's repositories
plp-semantic-ui
Build beautiful interactive web reports and web apps.
aizynthfinder
A tool for retrosynthetic planning
chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
chemopy
Cloned from the chemopy google project
chemprop
Message Passing Neural Networks for Molecule Property Prediction
DECIMER
Deep Learning for Chemical Image Recognition (DECIMER)
e3fp
3D molecular fingerprints
homebrew-cheminformatics
Cheminformatics formulae for the Homebrew package manager
ipython_notebooks
examples of statistical methods and data analysis in python
LillyMol
LillyMol Public Code
molpher-lib
C++/Python Library for Systematic Chemical Space Exploration
pipelines
Containerised components for cheminformatics and computational chemistry
pipelines-utils
Common utilities for all pipeline projects
py4chemoinformatics
Python for chemoinformatics
rdkit_java
RDKit with Java bindings
ReactionDecoder
Reaction Decoder Tool (RDT)
SECSE
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
think-in-java
Thinking in Java (Java 编程**)
TURTLE
GAMESS/TURTLE code
WebSiteUseful
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