Python rdkit

Open-source Python projects categorized as rdkit
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Topics: cheminformatics drug-design drug-discovery molecules Python
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Top 4 Python rdkit Projects

  • datamol

    Molecular Processing Made Easy.

  • ProLIF

    Interaction Fingerprints for protein-ligand complexes and more

  • InfluxDB

    Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

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  • ScaffoldGraph

    ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

  • Scopy

    An integrated negative design python library for desirable HTS/VS database design

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

Index

What are some of the best open-source rdkit projects in Python? This list will help you:

Project Stars
1 datamol 426
2 ProLIF 321
3 ScaffoldGraph 158
4 Scopy 42

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