Research solutions

Find the computational workflow for your next research question.

Start with your industry or research task. Explore connected tools for molecular design, simulation, biological data, formulation, and materials research in one secure platform.

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Neurosnap workspace

Design

RFdiffusion3Generate candidates

LigandMPNNDesign sequences

Evaluate

Boltz-2Predict complexes

GNINAInspect binding

Analyze

MDAnalysisAnalyze motion

ADMET-AIReview properties

20 connected solutions

Start with the decision you need to make.

Choose your industry for an application-focused starting point, or browse research tasks for a specific computational workflow. Each page connects relevant Neurosnap tools, methods, and supporting guides.

Showing 20 solutions

Industry

Industries

Explore computational workflows in the context of your team's products, research priorities, and experimental decisions.

Biotech & pharmaceuticals

Connect therapeutic discovery, protein engineering, and candidate characterization.

Boltz-2 (AlphaFold3)

Food & nutrition

Investigate enzyme performance, protein properties, and ingredient formulation.

EpHod Optimal Enzyme pH Prediction

TemStaPro Protein Thermostability Prediction

Materials & chemicals

Compare periodic structures, molecular properties, and mixture behavior.

Crystal Relaxation

Crystal Elasticity & Equation of State

Materials Molecular Dynamics

Agriculture & crop science

Investigate enzyme function, protein variants, and molecular interactions for agricultural research.

Personal care & cosmetics

Explore ingredient solubility, ionization, molecular conformers, and defined mixture behavior.

Research area

Biologics & protein engineering

Design, model, and evaluate proteins, peptides, antibodies, enzymes, and RNA systems.

Antibody Engineering

Design and mature antibodies with structure, affinity, and developability evidence connected.

Peptide Discovery

Model linear and cyclic peptides, generate binders, and evaluate protein-peptide interactions.

PocketXMol | Protein Design

Enzyme Engineering

Generate variants, predict kinetics, and optimize enzymes around process requirements.

Efficient Evolution

Protein Design

Generate backbones and sequences, design binders, and prioritize diverse candidates.

Protein Structure Prediction

Model monomers, complexes, ligands, nucleic acids, and modified biomolecules.

Boltz-2 (AlphaFold3)

Protenix (AlphaFold3)

OpenFold3 (AlphaFold3)

Protein Developability

Evaluate stability, solubility, aggregation, immunogenicity, humanness, and viscosity.

ProteinMPNN-ddG

DeepImmuno Immunogenicity Prediction

RNA Design

Predict RNA structures and interactions, solve inverse-folding problems, and model complexes.

RNAfold | ViennaRNA

RNAcofold | ViennaRNA

RhoDesign RNA Inverse Folding

Research area

Drug discovery & molecular simulation

Move from target structure and compound ideas to ranked, property-aware experimental hypotheses.

Small Molecule Discovery

Generate compounds, predict binding modes, compare affinity, and analyze analog series.

PocketXMol | Small Molecule Design

Virtual Screening

Prepare targets, rank molecular libraries, inspect poses, and produce experimental shortlists.

AutoDock Vina (smina)

Structure-Based Drug Design

Connect pocket analysis, ligand generation, docking, and lead refinement.

PocketXMol | Small Molecule Design

Molecular Dynamics & Free Energy

Prepare, simulate, analyze, and compare biomolecular systems over time.

GROMACS Molecular Dynamics

OpenMM Molecular Dynamics

MDAnalysis Trajectory Analysis

ADMET Prediction

Identify permeability, exposure, metabolism, toxicity, and property risks earlier.

Permeability and Efflux Prediction

Formulation Design

Explore solubility, ionization, mixture behavior, and drug-polymer compatibility.

Research area

Biological data & materials research

Connect sequencing analysis and periodic materials modeling to focused research decisions.

Multi-omics

Prepare sequencing data, quantify transcripts, compare conditions, and investigate variation.

FASTQ Interleaver

Transcript Assembly

Materials Science

Prepare periodic structures and investigate mechanical, thermal, phase, and surface behavior.

Crystal Preparation & Analysis

Crystal Relaxation

Crystal Phonons & Thermal Properties

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