FPSim2

Category

Therapeutics

Subcategory

unknown

License

MIT(osi)

Status

active

Maturity

deployed

Organization

chembl

Country

unknown

Homepage

chembl.github.io/FPSim2

Repository

github.com/chembl/FPSim2

Documentation

unknown

Tags

cheminformatics · chemistry · gpu · python · similarity-search

Regulatory

unknown

• eloyfelix
• dependabot[bot]
• adalke
• greglandrum
• roman-bushuiev

Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

• iSIMcheminformatics · similarity-search

  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real…

• sensaascheminformatics · similarity-search

  Shape-based alignment of molecules using 3D point-based representation

• gpusimilaritycheminformatics · chemistry · gpu

  A Cuda/Thrust implementation of fingerprint similarity searching

• AMPLcheminformatics · chemistry

  The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

• asciiMolcheminformatics · chemistry

  Curses based ASCII molecule viewer for terminals.

• ASE_ANIcheminformatics · chemistry

  ANI-1 neural net potential with python interface (ASE)

1. api.github.com/repos/chembl/FPSim2
   retrieved 2026-08-05 · via github-api

   Machine-imported from GitHub search. Last push 2026-07-16, 177 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.

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/v1/entries/56.json→ .entries["fpsim2"]

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