moldrug
importedtherapeutics/moldrug
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- moldrug.rtfd.io/
- Repository
- github.com/ale94mleon/moldrug
- Documentation
- unknown
- Tags
- chemical-space · cheminformatics · docking · drug-design · genetic-algorithm · optimization-algorithms · rdkit · vina
- Regulatory
- unknown
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.
- bitbirchchemical-space · cheminformatics · drug-design
BitBIRCH clustering algorithm
- iSIMchemical-space · cheminformatics · drug-design
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…
- hedgehogcheminformatics · docking · drug-design · rdkit
Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
- ProLIFcheminformatics · docking · drug-design · rdkit
Interaction Fingerprints for protein-ligand complexes and more
- EEG-Emotion-Recognitiongenetic-algorithm · optimization-algorithms
EEG-Based Emotion Recognition
- ChemPlotchemical-space · cheminformatics
A python package for chemical space visualization.
- api.github.com/repos/ale94mleon/moldrugretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-06-17, 41 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/29.json→ .entries["moldrug"]
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