All Competitors

Sequence-only allosteric site prediction that reads selected ESM-2 attention heads into a random forest, reaching 0.77 AUPRC without a structure.

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

Equivariant graph neural networks pretrained by denoising, used frozen as geometric featurizers for analyzing conformational dynamics in simulations.

Conotoxin design framework pairing a ProGen2-small fine-tune on cone snail venom peptides with an autoencoder classifier that screens the samples.

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

Energy-based diffusion model over protein loop conformations that scores how mutations in peptides and CDR3 loops shift TCR-pMHC binding affinity.

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

Generative protein sequence model built on Bayesian Flow Networks, sampling natural-like de novo sequences and inpainting any subset of residues.

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

Protein-ligand docking network that builds all-atom conformational ensembles of small molecules and side chains from a fixed protein backbone.

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

Melting-temperature regressor over frozen ProtBert embeddings that scans every single-point mutant of a sequence to hit a target Tm.

Protein druggability scoring that concatenates frozen ESM-2 sequence embeddings with Gene Ontology annotations to rank candidate drug targets.

Reinforcement learning agent that proposes sets of point mutations to disrupt a chosen alpha-helix, either in isolation or inside its parent protein.

Protein language model pre-trained on curated UniRef100, antibody, and SCOP sequences. Matches ESM2 15B on sequence recovery at 350M parameters.

Protein complex structure prediction conditioned on sparse restraints from crosslinking, covalent labeling, NMR shifts and mutational scans.

Sequence-only pKa prediction for six titratable side chains and both termini, using a frozen protein language model and isoelectric-point features.

Cryo-EM heterogeneous reconstruction in real space, decoding density maps from a conformational latent space disentangled from pose and CTF.

Nanobody thermostability predictor stacking regressors over frozen language model embeddings to estimate apparent melting temperature from sequence.

Manufacturing-aware generative sequence models whose parameters are DNA synthesis reaction conditions, so designs are made in vitro at petascale.

Predicts which olfactory receptors an odorant activates, fusing a molecular graph network with frozen protein language model embeddings.

Protein half-life prediction from sequence and AlphaFold-derived structure tokens, separating short- from long-lived proteins and nominating degrons.

Self-supervised 3D molecular pretraining that corrupts and rebuilds tetrahedral local structures, then transfers to toxicity and affinity prediction.