Appendix E — Model and Dataset Index

Author
Published

May 24, 2026

Model or Dataset Main Use Evidence Tier Source
AlphaFold 2 Protein structure prediction Demonstrated Jumper et al., 2021
AlphaFold 3 Biomolecular interaction structure prediction Demonstrated Abramson et al., 2024
AlphaFold DB Predicted protein structure database Demonstrated AlphaFold Protein Structure Database, 2026
ESMFold Protein language model structure prediction Demonstrated Lin et al., 2023
ESM3 Multimodal protein language model Demonstrated for selected generation tasks Hayes et al., 2025
RFdiffusion Protein backbone generation and design Demonstrated Watson et al., 2023
ProteinMPNN Protein sequence design for structures Demonstrated Dauparas et al., 2022
Boltz-1 Open biomolecular interaction modeling Demonstrated as an open research system Boltz-1, 2024
Evo Genome-scale biological sequence modeling Demonstrated in published tasks Nguyen et al., 2024
AlphaGenome Regulatory variant-effect prediction Demonstrated Avsec et al., 2026
Geneformer Single-cell gene and cell representations Demonstrated Theodoris et al., 2023
scGPT Single-cell multi-omics foundation model Demonstrated Cui et al., 2024
GEARS Genetic perturbation response prediction Demonstrated in selected settings Roohani et al., 2024
PDB Experimental macromolecular structure archive Demonstrated infrastructure wwPDB, 2026
ChEMBL Curated bioactivity database Demonstrated infrastructure Zdrazil et al., 2024
PubChem Chemical substance, compound, and assay database Demonstrated infrastructure Kim et al., 2023
MoleculeNet Molecular ML benchmark suite Demonstrated benchmark Wu et al., 2018
PoseBusters Docking pose validity checks Demonstrated benchmark Buttenschoen et al., 2024