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212 entries in Chemistry
Showing 48 of 212
Corollary Labs
Lipinski, Veber and lead-likeness descriptors computed from SMILES — instantly, free.
PharMolix / OpenBioMed
Reasoning-capable biomedical LLM with chain-of-thought over molecules.
Seyone Chithrananda et al.
RoBERTa over SMILES — the fast, widely validated chemistry baseline.
MIT / Barzilay Lab
Diffusion docking: 38% top-1 success versus 23% for classical AutoDock.
Meta AI
Scientific LLM retained as a domain-knowledge evaluation baseline only.
IBM Research
One model across proteins, molecules and omics — SOTA on 9 of 11 discovery tasks.
IBM Research
SMILES transformer pre-trained on 1.1 billion molecules.
NVIDIA BioNeMo
Controlled molecule generation in a well-behaved latent space.
Google Health AI
Open therapeutics LLM covering 66 Therapeutic Data Commons tasks.
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