rdkit/rdkit-build-helpers rdkit/rdkit-build-helpers

  • Stars
    star
    1
  • Language
    C#
  • License
    BSD 3-Clause "New...
  • Created almost 2 years ago
  • Updated 3 months ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
rdkit/rdkit-build-helpers
github

rdkit

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples

More Repositories

1

rdkit

The official sources for the RDKit library
HTML
2,632
star
2

rdkit-tutorials

Tutorials to learn how to work with the RDKit
Jupyter Notebook
191
star
3

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.
Python
157
star
4

rdkit-js

A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Dockerfile
103
star
5

UGM_2020

Materials from the (virtual) 2020 RDKit UGM
Jupyter Notebook
51
star
6

django-rdkit

Python
51
star
7

conda-rdkit

Conda build recipe for the rdkit
C
46
star
8

UGM_2022

Materials from the 2022 UGM
Jupyter Notebook
42
star
9

homebrew-rdkit

Homebrew formula for rdkit
Ruby
40
star
10

UGM_2021

Materials from the (virtual) 2021 RDKit UGM
Jupyter Notebook
40
star
11

RDKitjs-legacy

Obsolete codebase, please do not use.
HTML
32
star
12

CheTo

CheTo - Chemical Topic Modeling
Jupyter Notebook
31
star
13

UGM_2016

Materials from the 2016 RDKit UGM
Jupyter Notebook
29
star
14

neo4j-rdkit

Java
26
star
15

shape-it

Updated version of Silicos-it's shape-based alignment tool
C++
26
star
16

knime-rdkit

The RDKit nodes for the KNIME Analytics Platform
Java
25
star
17

PREFER

Python
24
star
18

AutomatedSeriesClassification

Jupyter Notebook
22
star
19

rdkit-orig

Older clone of the RDKit subversion repository at http://sourceforge.net/projects/rdkit/
C++
22
star
20

benchmarking_platform

Python
22
star
21

rdkit-structure-renderer

JavaScript package for interactive rendering of 2D chemical structures in the browser.
HTML
18
star
22

mongo-rdkit

GSoC 2020 project to integrate the RDKit and MongoDb
Python
16
star
23

UGM_2019

HTML
15
star
24

org.rdkit.lucene

Lucene Chemical Index based on RDKit functionality.
Java
12
star
25

OCEAN

OCEAN - Optimized Cross rEActivity estimatioN
JavaScript
11
star
26

lmnb

LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.
Python
11
star
27

UGM_2013

9
star
28

rdkit_containers

Containers for building and working with the RDKit
Dockerfile
8
star
29

UGM_2015

Materials from the 2015 RDKit UGM
HTML
7
star
30

UGM_2014

Materials from the 2014 RDKit UGM
JavaScript
7
star
31

UGM_2017

2017 RDKit UGM
Jupyter Notebook
5
star
32

UGM_2023

Materials from the 2023 RDKit UGM
1
star