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The Top 23 Cheminformatics Rdkit Open Source Projects

Open source projects categorized as Cheminformatics Rdkit
Categories > Science > Cheminformatics
Categories > Rdkit
Rdkit ⭐ 2,323
The official sources for the RDKit library
dependent packages 21total releases 43most recent commit 3 months ago
Datamol ⭐ 423
Molecular Processing Made Easy.
dependent packages 14total releases 82most recent commit 3 months agopypi datamol} Downloads
Prolif ⭐ 286
Interaction Fingerprints for protein-ligand complexes and more
dependent packages 2total releases 20most recent commit 6 months agopypi prolif} Downloads
Oddt ⭐ 241
Open Drug Discovery Toolkit
total releases 26most recent commit 2 years ago
Jupyter_dock ⭐ 215
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
most recent commit 9 months ago
Molplotly ⭐ 200
add-on to plotly which show molecule images on mouseover!
total releases 14most recent commit a year ago
Mols2grid ⭐ 195
Interactive molecule viewer for 2D structures
dependent packages 2total releases 19most recent commit 4 months agopypi mols2grid} Downloads
Scaffoldgraph ⭐ 148
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
total releases 8most recent commit 2 years ago
Py4chemoinformatics ⭐ 147
Python for chemoinformatics
most recent commit 3 years ago
Rdkit Pypi ⭐ 112
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
dependent packages 244total releases 14most recent commit 4 months agopypi rdkit} Downloads
Rdkit Js ⭐ 103
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
dependent packages 5total releases 61most recent commit 5 months agonpm @rdkit/rdkit} Downloads
Molvs ⭐ 55
Molecule Validation and Standardization
total releases 10most recent commit 4 years ago
Py4chemoinformatics ⭐ 53
Python for chemoinformatics
most recent commit 3 years ago
Psikit ⭐ 37
psi4+RDKit
total releases 6most recent commit 3 years ago
Chembience ⭐ 33
A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
most recent commit 2 years ago
Scopy ⭐ 32
An integrated negative design python library for desirable HTS/VS database design
total releases 8most recent commit a year ago
Pidginv3 ⭐ 15
Protein target prediction using random forests and reliability-density neighbourhood analysis
most recent commit 4 years ago
Pipelines ⭐ 13
Containerised components for cheminformatics and computational chemistry
most recent commit 3 years ago
Pysmash ⭐ 10
Smash molecule and obtain significant fragments
total releases 1most recent commit 3 years ago
Ai4pfas ⭐ 10
Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"
most recent commit a year ago
Moldrug ⭐ 9
MolDrug (from Molecule to Drug) is a python package for drug-oriented optimization on the chemical space ​
total releases 30most recent commit 3 months ago
Qed ⭐ 8
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
total releases 2most recent commit a year ago
Chempp ⭐ 7
[paused development] Large scale concurrent chemical search using RDKit cartridge, Oat++ and native Postgres & C++ features.
most recent commit 2 years ago
The 7 Most Depended On Cheminformatics Rdkit Open Source Projects
Rdkit Pypi ⭐ 112
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
dependent packages 244total releases 14latest release November 25, 2023most recent commit 4 months agopypi rdkit} Downloads
Rdkit ⭐ 2,323
The official sources for the RDKit library
dependent packages 21total releases 43latest release October 25, 2022most recent commit 3 months ago
Datamol ⭐ 423
Molecular Processing Made Easy.
dependent packages 14total releases 82latest release December 09, 2023most recent commit 3 months agopypi datamol} Downloads
Rdkit Js ⭐ 103
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
dependent packages 5total releases 61latest release November 14, 2023most recent commit 5 months agonpm @rdkit/rdkit} Downloads
Mols2grid ⭐ 195
Interactive molecule viewer for 2D structures
dependent packages 2total releases 19latest release December 21, 2023most recent commit 4 months agopypi mols2grid} Downloads
Rdkit Provider ⭐ 5
instantiate an RDKit web worker in a React context
dependent packages 2total releases 3latest release January 31, 2023most recent commit 3 months agonpm @iktos/rdkit-provider} Downloads
Prolif ⭐ 286
Interaction Fingerprints for protein-ligand complexes and more
dependent packages 2total releases 20latest release October 11, 2023most recent commit 6 months agopypi prolif} Downloads
The 10 Latest Releases In Cheminformatics Rdkit Open Source Projects
Mols2grid ⭐ 195
Interactive molecule viewer for 2D structures
dependent packages 2total releases 19latest release December 21, 2023most recent commit 4 months agopypi mols2grid} Downloads
Datamol ⭐ 423
Molecular Processing Made Easy.
dependent packages 14total releases 82latest release December 09, 2023most recent commit 3 months agopypi datamol} Downloads
Rdkit Pypi ⭐ 112
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
dependent packages 244total releases 14latest release November 25, 2023most recent commit 4 months agopypi rdkit} Downloads
Rdkit Js ⭐ 103
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
dependent packages 5total releases 61latest release November 14, 2023most recent commit 5 months agonpm @rdkit/rdkit} Downloads
Prolif ⭐ 286
Interaction Fingerprints for protein-ligand complexes and more
dependent packages 2total releases 20latest release October 11, 2023most recent commit 6 months agopypi prolif} Downloads
Rdkit Provider ⭐ 5
instantiate an RDKit web worker in a React context
dependent packages 2total releases 3latest release January 31, 2023most recent commit 3 months agonpm @iktos/rdkit-provider} Downloads
Molplotly ⭐ 200
add-on to plotly which show molecule images on mouseover!
total releases 14latest release November 24, 2022most recent commit a year ago
Rdkit ⭐ 2,323
The official sources for the RDKit library
dependent packages 21total releases 43latest release October 25, 2022most recent commit 3 months ago
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