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11 open source projects by rdkit
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1.
Rdkit
The official sources for the RDKit library
✭ 1,164
python
html
cheminformatics
2.
conda-rdkit
Conda build recipe for the rdkit
✭ 43
c
Dockerfile
Batchfile
shell
python
3.
UGM 2019
No description, website, or topics provided.
✭ 13
HTML
Jupyter Notebook
4.
homebrew-rdkit
Homebrew formula for rdkit
✭ 38
ruby
python
5.
AutomatedSeriesClassification
No description, website, or topics provided.
✭ 17
Jupyter Notebook
python
6.
mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
✭ 104
python
7.
UGM 2016
Materials from the 2016 RDKit UGM
✭ 24
Jupyter Notebook
python
8.
UGM 2020
Materials from the (virtual) 2020 RDKit UGM
✭ 48
Jupyter Notebook
9.
django-rdkit
django-rdkit.readthedocs.org/en/latest/
✭ 49
python
10.
rdkit-tutorials
Tutorials to learn how to work with the RDKit
✭ 164
Jupyter Notebook
python
11.
RDKitjs
Obsolete codebase, please do not use.
✭ 33
HTML
javascript
TeX
C++
CSS
CMake
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11
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