dalong (greatlse)

greatlse

Geek Repo

Location:shanghai, China

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dalong's repositories

atomsk

Atomsk: a tool for manipulating and converting atomic data files -

Language:FortranLicense:GPL-3.0Stargazers:1Issues:0Issues:0

excel-cdk

Enable chemical informatics functionality in MS Excel spreadsheets

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plp-semantic-ui

Build beautiful interactive web reports and web apps.

Language:JavaScriptLicense:MITStargazers:1Issues:0Issues:0
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aizynthfinder

A tool for retrosynthetic planning

License:MITStargazers:0Issues:0Issues:0

biskit

A Python platform for Structural Bioinformatics

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chainer-chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

Language:PythonLicense:MITStargazers:0Issues:2Issues:0
License:MITStargazers:0Issues:0Issues:0

chemopy

Cloned from the chemopy google project

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chemprop

Message Passing Neural Networks for Molecule Property Prediction

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DECIMER

Deep Learning for Chemical Image Recognition (DECIMER)

License:MITStargazers:0Issues:0Issues:0

duck

Dynamic Undocking

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e3fp

3D molecular fingerprints

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homebrew-cheminformatics

Cheminformatics formulae for the Homebrew package manager

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ipython_notebooks

examples of statistical methods and data analysis in python

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LillyMol

LillyMol Public Code

License:Apache-2.0Stargazers:0Issues:0Issues:0

molpher-lib

C++/Python Library for Systematic Chemical Space Exploration

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oddt

Open Drug Discovery Toolkit

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:2Issues:0

pipelines

Containerised components for cheminformatics and computational chemistry

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pipelines-utils

Common utilities for all pipeline projects

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py4chemoinformatics

Python for chemoinformatics

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rdkit_java

RDKit with Java bindings

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ReactionDecoder

Reaction Decoder Tool (RDT)

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SECSE

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

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think-in-java

Thinking in Java (Java 编程**)

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TURTLE

GAMESS/TURTLE code

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WebSiteUseful

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