lacuna
importedtherapeutics/lacuna
Finds cryptic binding pockets that are invisible in a single static structure. Generates a conformational ensemble, detects pockets in every conformer, clusters them into transient sites, and ranks…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- zenodo.org/records/21997159
- Repository
- github.com/mooreneural/lacuna
- Documentation
- unknown
- Tags
- bioinformatics · chemoinformatics · conformational-ensemble · cryptic-pockets · drug-discovery
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- MAVENbioinformatics · chemoinformatics · drug-discovery
Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal reasoning, plus pathway enrichment to put results into…
- Chelombuschemoinformatics · drug-discovery
Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one GPU.
- Computer_aided_drug_discovery_kitchemoinformatics · drug-discovery
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…
- Conformation-Importance-ML-Modelschemoinformatics · drug-discovery
Official repository for the paper "Understanding Conformation Importance in Data-driven Property Prediction Models"
- Bioactivity-prediction-with-MLbioinformatics · chemoinformatics
Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
- fpembedbioinformatics · chemoinformatics
FPembed - Generalized Molecular Fingerprint Embeddings
- api.github.com/repos/mooreneural/lacunaretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-08-20, 4 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/11.json→ .entries["lacuna"]
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