equidock_public

Category

Therapeutics

Subcategory

unknown

License

MIT(osi)

Status

dormant

Maturity

deployed

Organization

unknown

Country

unknown

Homepage

unknown

Repository

github.com/octavian-ganea/equidock_public

Documentation

unknown

Tags

deeplearning · docking · drug-discovery · drugdiscovery · equivariance · equivariant-network · equivariant-representations · geometry

Regulatory

unknown

• octavian-ganea

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.

• EquiBinddrug-discovery · equivariance · geometry

  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

• ReLeaSEdeeplearning · drug-discovery

  Deep Reinforcement Learning for de-novo Drug Design

• CANDOdocking · drug-discovery

  Computational Analysis of Novel Drug Opportunities

• DockM8docking · drug-discovery

  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.

• drug-computingdocking · drug-discovery

  Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

• gnina-torchdocking · drug-discovery

  🔥 PyTorch implementation of GNINA scoring function for molecular docking

1. api.github.com/repos/octavian-ganea/equidock_public
   retrieved 2026-08-05 · via github-api

   Machine-imported from GitHub search. Last push 2023-09-22, 259 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.

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/v1/entries/60.json→ .entries["equidock-public"]

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