Compare AI products

Compare research use, compute requirements, licence conditions and evidence alongside product specifications.

Popular Benchmark Comparisons:

Showing up to 60 matches. Search to find more products.

Open Product Finder · View Benchmark Leaderboard ↗

Compare the same version, region and billing basis. Missing information does not mean a feature is absent. Verify prices and availability with the source.
Attribute
Drug Discovery & Chemistry

MoLFormer

IBM Research
Choose a productChoose a product
CategoryDrug Discovery & Chemistry
CompanyIBM Research
PriceFree Open Source
StatusStatus not confirmed
AvailabilityAvailable on Hugging Face and GitHub
Last checked20/09/2026
FeaturesTrained on 1.1 billion SMILES strings from PubChem and ZINC databases, Linear attention mechanism enabling efficient scaling to large molecular graphs, State-of-the-art benchmarks on MoleculeNet across physical chemistry and biophysics tasks, Fine-tuning support for custom pharmaceutical assay endpoints
Entry typeAI Model
Access modeOpen Source
AI roleChemical Foundation Model
Input dataNot recorded
Output dataNot recorded
Licence conditionsMIT License
Commercial eligibilityOpen source release
Compute requirements1x GPU or CPU for inference; multi-GPU for fine-tuning
ValidationNot recorded
TypeChemical transformer foundation model
Intended useNot recorded
CompatibilityNot recorded
ManufacturerIBM Research
Biological applicationSolubility, toxicity (hERG, Ames), BBB permeability, and binding affinity prediction
Research workflowSMILES input -> high-dimensional latent molecular embeddings -> downstream property predictions
Evidence levelPeer-reviewed research (Nature Machine Intelligence 2022)
Integration evidencehttps://github.com/IBM/molformer
Laboratory handoffFilters high-risk toxic molecules before compound synthesis