ML4SMILES
importedtherapeutics/ml4smiles
Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow
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
- Homepage
- unknown
- Repository
- github.com/Songyosk/ML4SMILES
- Documentation
- unknown
- Tags
- drug-discovery · machine-learning · molecular-properties · smiles · smiles-strings
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- molecule-clipboardmolecular-properties · smiles
A browser-based tool for drawing, editing, inspecting, canonicalizing, and visualizing small molecules
- pysmilessmiles · smiles-strings
A lightweight python-only library for reading and writing SMILES strings
- wiswessersmiles · smiles-strings
Wiswesser Line Notation Project
- NistChemPymolecular-properties
Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.
- Deep-Drug-Coderdrug-discovery · smiles-strings
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
- kaggle_leash_belkadrug-discovery · smiles-strings
11th place solution of NeurIPS 2024 - Predict New Medicines with BELKA competition on Kaggle: https://www.kaggle.com/competitions/leash-BELKA
- api.github.com/repos/Songyosk/ML4SMILESretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2024-09-21, 12 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/29.json→ .entries["ml4smiles"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.