desp

Category

Therapeutics

Subcategory

unknown

License

MIT(osi)

Status

dormant

Maturity

deployed

Organization

coleygroup

Country

unknown

Homepage

unknown

Repository

github.com/coleygroup/desp

Documentation

unknown

Tags

chemistry · computer-aided-synthesis-planning · deep-learning · drug-discovery · machine-learning · search-algorithm

Regulatory

unknown

• ykevu
• randyshee

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.

• matcherchemistry · drug-discovery · search-algorithm

  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over searching structure/activity relationships (SAR) derived from…

• chemicalxchemistry · drug-discovery

  A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

• chempropchemistry · drug-discovery

  Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

• Indigochemistry · drug-discovery

  Universal cheminformatics toolkit, utilities and database search tools

• Indigo-ELN-v.-2.0chemistry · drug-discovery

  Indigo ELN - Open Source Chemistry Electronic Lab Notebook

• Meekochemistry · drug-discovery

  Interface for AutoDock, molecule parameterization

1. api.github.com/repos/coleygroup/desp
   retrieved 2026-08-05 · via github-api

   Machine-imported from GitHub search. Last push 2025-01-23, 31 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.

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