HSP-predictions
importedtherapeutics/hsp-predictions
XGBoost and GNN training and models for prediction of Hansen solubility parameters
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · deepchem · graph-neural-networks · mordred · rdkit · xgboost-regression
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- drug-discovery-agent-skillscheminformatics · deepchem · rdkit
Agent Skills for small-molecule and protein therapeutics: cheminformatics, molecular ML, docking and dynamics, protein design platforms, and target-discovery knowledge graphs.
- chempleterchemistry · deepchem
Chempleter is a lightweight generative model to predict syntactically valid extensions of molecular structures.
- AI4PFAScheminformatics · mordred
Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"
- ShapePharm3Dcheminformatics · graph-neural-networks · 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…
- ALKYLcheminformatics · chemistry · rdkit
Claude Plugin for CompChem , Drug Discovery & Organic Chemistry reasoning
- chematiccheminformatics · chemistry · rdkit
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
- api.github.com/repos/darjacvetkovic/HSP-predictionsretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2024-07-04, 13 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/3.json→ .entries["hsp-predictions"]
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