Computer_aided_drug_discovery_kit
importedtherapeutics/computer-aided-drug-discovery-kit
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- GPL-3.0(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- biotechnology · cancer-research · chemical-descriptors · chemoinformatics · computational-drug-discovery · descriptors · drug-discovery · drug-repurposing · fingerprints · machine-learning · padel · padel-descriptors · pharmacoinformatics · randomforestclassifier
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- alzheimer-drug-discoverydrug-discovery · padel
drug discovery is the process by which new candidate medications are discovered. We take advantage of ML to get an insight of the druglikeliness of proteins and compounds more effeciently in order…
- chematicdrug-discovery · fingerprints
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
- rdkit-clidrug-discovery · fingerprints
Python command line tool for rdkit library, fast, simple and reactive
- Bioactivity-prediction-with-MLbiotechnology · chemoinformatics
Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
- Myriadbiotechnology · drug-discovery
Agent skills for biotech and pharmaceutical . Access 10,000 searchable, installable tasks for bioinformatics, drug discovery, genomics, and automated life-science workflows.
- qeddescriptors
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
- api.github.com/repos/francescopatane96/Computer_aided_drug_discovery_kitretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2023-08-14, 27 stars, license reported as GPL-3.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/37.json→ .entries["computer-aided-drug-discovery-kit"]
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