posecheck-fast
importedtherapeutics/posecheck-fast
High-throughput docking pose validation: symmetry-corrected RMSD and lightweight PoseBusters-style distance/clash filters.
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
- LigandPro
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/LigandPro/posecheck-fast
- Documentation
- unknown
- Tags
- cheminformatics · drug-discovery · molecular-docking · pose-validation · posebusters · protein-ligand · pytorch · rdkit
- 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.
- templ-pipelinecheminformatics · drug-discovery · protein-ligand · rdkit
Template-based protein-ligand pose prediction with web interface.
- relligcheminformatics · drug-discovery · protein-ligand
Identifies relevant ligands in the PDB
- drug-discovery-agent-skillscheminformatics · drug-discovery · molecular-docking · rdkit
Agent Skills for small-molecule and protein therapeutics: cheminformatics, molecular ML, docking and dynamics, protein design platforms, and target-discovery knowledge graphs.
- logD_predictorcheminformatics · drug-discovery · pytorch · rdkit
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
- molgencheminformatics · drug-discovery · pytorch · rdkit
Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.
- ShapePharm3Dcheminformatics · drug-discovery · pytorch · rdkit
3D pharmacophore-conditioned molecular diffusion with an E(3)-equivariant EGNN backbone. Generates shape-complementary, drug-like molecules conditioned on pharmacophore point clouds and PMI/SSD…
- api.github.com/repos/LigandPro/posecheck-fastretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-02-19, 6 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/61.json→ .entries["posecheck-fast"]
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