All Competitors

Predicts binding free energy change (ΔΔG) at protein-protein interfaces by scoring bound and unbound states with an inverse folding model.

Protein-ligand binding affinity prediction for Kd, Ki and IC50 from a pocket structure and a SMILES string, with no docked complex required.

All-atom protein dynamics simulator that bridges consecutive MD snapshots directly using SO(3)-equivariant two-sided stochastic interpolants.

Zero-shot mutation effect scoring for designed and viral proteins, mapping frozen ESM2 representations onto MD and normal-mode dynamic properties.

Biomolecular structure prediction foundation model covering proteins, small molecules, DNA, RNA, and glycans in a single diffusion framework.

AAV capsid design platform for gene therapy that steers a peptide language model toward inserts combining receptor targeting and production fitness.

Protein language model trained from scratch on MD and normal-mode dynamics, representing residue fluctuation and co-movement from sequence.

Multimodal LLM aligning natural language, small molecules and proteins in any direction, turning prose design goals into molecules or enzymes.

Protein fitness prediction model meta-trained across ProteinGym deep mutational scans, transferring to unseen assays in context with no task data.

Multi-modal protein foundation model aligning 3D structure and literature text to a sequence anchor through contrastive pretraining.

Structure-based drug design that generates molecules as synthetic pathways over 1.2M purchasable building blocks, so each design carries its route.

Diffusion model for de novo protein backbone design that learns a 32-dimensional latent code for global fold geometry and generates conditioned on it.

Protein sequence embedding method that pools a language model's token outputs by PageRank over its own attention, adding no trained parameters.

Protein conformational ensemble generation guided by experimental observables, steering a pretrained diffusion sampler toward Boltzmann statistics.

Conditional adapters over a frozen ProGen2 generate enzymes steered by EC number, taxonomy, or free-text function, including rare and unseen classes.

Immunogenicity classifier for reverse vaccinology, fusing frozen protein language model embeddings with Foldseek and ESM3 structure tokens.

Antibody language model that reads sequence and backbone coordinates together, so a masked CDR can be recovered from either or both modalities.

Enzyme catalytic pocket design conditioned on a reaction: substrate and product in, pocket backbone, sequence, and EC class out.

De novo protein binder design pipeline that hallucinates binders through frozen AlphaFold2 weights, averaging a 46% experimental success rate.

Diffusion model for protein-protein docking that unifies pose sampling and energy-based ranking, works without MSAs, and generalizes to new targets.

Molecular dynamics surrogate that generates whole trajectories, switching between forward simulation, transition path sampling and upsampling.

Cryo-EM and cryo-ET heterogeneity analysis that separates subunit rigid-body motion from compositional change into distinct latent spaces.

Protein motion prediction from sequence alone, mapping language model embeddings to continuous 3D displacement vectors with a lightweight CNN.