Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: pharmacophore

Locates, scores, and predicts potential areas of ligand binding using a soft-core repulsion force over a grid.

Size: 1.95 KB - Last synced: 29 days ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking

Language: Jupyter Notebook - Size: 559 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 41 - Forks: 12

Consensus pharmacophore for Drug Design

Language: Jupyter Notebook - Size: 4.27 MB - Last synced: 23 days ago - Pushed: 9 months ago - Stars: 5 - Forks: 2

3D pharmacophore signatures and fingerprints

Language: Python - Size: 780 KB - Last synced: 3 months ago - Pushed: 7 months ago - Stars: 92 - Forks: 23

PyRod - Tracing water molecules in molecular dynamics simulations

Language: Python - Size: 1.74 MB - Last synced: 4 months ago - Pushed: over 3 years ago - Stars: 42 - Forks: 7

backup of silicos-it's align-it-1.0.4

Language: C++ - Size: 64.5 KB - Last synced: 7 months ago - Pushed: over 5 years ago - Stars: 8 - Forks: 2

Python API for Pharmer

Language: HTML - Size: 34.6 MB - Last synced: about 2 months ago - Pushed: almost 5 years ago - Stars: 9 - Forks: 6

Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)

Language: Jupyter Notebook - Size: 1.02 MB - Last synced: 8 months ago - Pushed: over 2 years ago - Stars: 5 - Forks: 0

AutoCorrelation of Pharmacophore Features

Language: OCaml - Size: 140 KB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 2 - Forks: 0

Pharmacophores Study Group

Size: 8.85 MB - Last synced: about 2 months ago - Pushed: almost 3 years ago - Stars: 2 - Forks: 0

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