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Simpatico

imported

data/simpatico

Simpatico produces high-dimensional embeddings of atoms in proteins and small molecules. Atomic representations produced by Simpatico are co-located in embedding space according to their interaction…

Machine-generated from the listed sources and not yet reviewed by a human.

Simpatico project image
GitHub preview card for TravisWheelerLab/Simpatico. Served by its origin, not stored here, and not covered by this registry’s licence.
record
Category
Data & Standards
Subcategory
unknown
License
BSD-3-Clause(osi)
Status
active
Maturity
deployed
Organization
TravisWheelerLab
Country
unknown
Homepage
unknown
Repository
github.com/TravisWheelerLab/Simpatico
Documentation
unknown
Tags
cheminformatics · computational-biology · drug-discovery · virtual-screening
Regulatory
unknown
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    Hybrid peptide docking: RAPiDock diffusion sampling + physics-based rescoring (iGEM 2026)

  • Jupyter_Dockcheminformatics · computational-biology · drug-discovery

    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.

  • madurella-target-discoverycheminformatics · computational-biology · drug-discovery

    A ChEMBL-driven target-discovery pipeline run on the neglected fungal pathogen Madurella mycetomatis — including the audit that caught the pipeline's own artifact (384 duplicate HDAC4 records ranked…

sources
  1. api.github.com/repos/TravisWheelerLab/Simpatico
    retrieved 2026-08-25 · via github-api

    Machine-imported from GitHub search. Last push 2026-05-21, 3 stars, license reported as BSD-3-Clause. Category and schematic were assigned by keyword heuristics and are unreviewed.

Not yet verified by a human. Correct this record →

machine-readable

/v1/entries/50.json→ .entries["simpatico"]

Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.