Boltzmann Labs | AI-Powered Drug Discovery Platform
Boltzmann Labs is an end-to-end AI drug discovery platform providing computational solutions for pharmaceutical and biotechnology research. Our multi-agent AI workflows accelerate small molecule design, protein engineering, synthetic chemistry, RNA design, and biologics discovery.
Small Molecule Design
Tools for AI-driven drug design: property prediction (ADMET), random molecule generation, fragment-based generation, lead generation, lead optimization, molecular docking (AutoDock Vina, DiffDock), binding site prediction, structure-based drug design, pharmacophore modeling, virtual screening, toxicity prediction, molecular dynamics simulations (OpenMM, GROMACS), free energy perturbation (FEP), QSAR model building.
Protein Engineering
Antibody random generation, CDR generator, antibody backbone generation, antibody inverse folding, LigandMPNN, antibody property prediction (expression, aggregation, polyreactivity, binding affinity, thermal stability), protein structure prediction, Boltz, Boltz2, multimer structure prediction, MegaDock protein-protein docking, enzyme design (function-based, Genzyme), peptide generation (structure-based, sequence-based, cyclic, Evobind), in silico directed evolution (MLDE), random controlled mutagenesis, stability-binding DDG, SolubleMPNN, ThermoMPNN, NetsolP, Prodigy, ActSeek, Pep Patch, TM Align, Bind Craft, BoltzGen, PPI Flow.
Synthetic Chemistry
AI retrosynthesis (template-based, template-free, semi-template), interactive synthesis builder, forward reaction prediction, impurity prediction, atom mapping, condition recommendation, deep literature search.
RNA Design
mRNA generation, codon optimization, mRNA property prediction, RNA structure prediction (tertiary and secondary), RNA inverse folding, RNA translation efficiency prediction, siRNA generation, siRNA efficacy prediction, CRISPR sgRNA design, CRISPR base editing, CRISPR off-target prediction, CRISPR IndelShift prediction, Codon RLBERT.
Density Functional Theory (DFT)
Single point energy calculation, geometry optimization, HOMO-LUMO and reactivity descriptors, QM-MM hybrid simulations using GPU-accelerated quantum chemistry engines.
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