Our Free Tools
Boltz2 (Small Molecule-Protein Binding Prediction）
Boltz2 (Small Molecule-Protein Binding Prediction）
Boltz2 (Small Molecule-Protein Binding Prediction）
Input: Small molecule in SMILES format; Protein in single-letter amino acid sequence
Output: Predicted binding affinity;3D structures of the protein–ligand complex
Mode: Batch-processing of up to 200 jobs
Software Link:
batch_processing_of_the_small_molecule_protein_interaction_using_boltz2.ipynb
AlphaFold/ColabFold (Protein Structure Prediction）
Boltz2 (Small Molecule-Protein Binding Prediction）
Boltz2 (Small Molecule-Protein Binding Prediction）
Input: Protein in single-letter amino acid sequence
Output: Predicted 3D structure of a single protein or a protein complex
Mode: Single input
Software Link:
BindCraft (Binder Design)
Boltz2 (Small Molecule-Protein Binding Prediction）
RFdiffusion (Binder Design)
Input: A PDB file of your target protein
Output: Amino acid sequences of binders (mini-proteins or peptides) and predicted 3D structures of the target-binder complex
Mode: Iterative cycles of design
Software Link:
RFdiffusion (Binder Design)
Autodock Vina (Small Molecule-Protein Binding Prediction)
RFdiffusion (Binder Design)
Input: the PDB file of your target protein
Output: Amino acid sequences of binders (mini-proteins or peptides) and predicted 3D structures of the target-binder complex
Mode: Iterative cycles of design
Software Link:
Boltz2 (Protein-Protein Binding Prediction)
Autodock Vina (Small Molecule-Protein Binding Prediction)
Autodock Vina (Small Molecule-Protein Binding Prediction)
Input: Protein A and B in single-letter amino acid sequence
Output: Predicted interface quality (ipTM);3D structures of the protein–protein complex
Mode: Batch-processing of up to 200 jobs
Software Link: batch_processing_of_the_protein_protein_interaction_using_boltz2.ipynb
Autodock Vina (Small Molecule-Protein Binding Prediction)
Autodock Vina (Small Molecule-Protein Binding Prediction)
Autodock Vina (Small Molecule-Protein Binding Prediction)
Input: Small molecule in SMILES format; the PBD file of your target protein to be docked
Output: Docking score and docked ligand PBD files
Mode: Batch-processing of up to 10,000 jobs
Software Link:
ProteinMPNN (Protein Variant Creation)
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Small Molecule Drug Developability Prediction
Input: the PDB file of your target protein
Output: Amino acid sequences of protein variants and their score
Mode: batch-processing
Software Link:
Small Molecule Drug Developability Prediction
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Small Molecule Drug Developability Prediction
Input: Small molecule in SMILES format
Output: predicted physicochemical properties, drug-likeness, and ADMET-related features
Mode: batch-processing of millions of molecules
Software Link: small_molecule_drug_developability_analysis.ipynb
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Input: Small molecule in SMILES format
Output: predicted similarity to the target SMILES
Mode: batch-processing of millions of molecules
Software Link:
RFantibody
Molecular Dynamics Simulation
Similarity Ensemble Approach (Similarity Based on Chemical 2D Structure)
Input: Your antigen PDB
Output: Designed antibody (CDRs)
Mode: Single input
Software Link:
RFantibody(nanobody)
Molecular Dynamics Simulation
Molecular Dynamics Simulation
Input: Your antigen PDB and nanobody framework PDB
Output: Designed nanobody
Mode: Single input
Software Link:
Molecular Dynamics Simulation
Molecular Dynamics Simulation
Molecular Dynamics Simulation
Input: the PDB file
Output: trajectory files
Mode: Single input
Software Link:
ThermoMPNN
DeepViscosity (Predict Antibody Viscosity)
PepMLM (Peptide Binder)
Input: Your target PDB
Output: Predicted ΔΔG caused by mutations
Mode: Single input
Software Link:
PepMLM (Peptide Binder)
DeepViscosity (Predict Antibody Viscosity)
PepMLM (Peptide Binder)
Input: Your target protein sequence
Output: Predicted peptide binders
Mode: Single input
Software Link:
DeepViscosity (Predict Antibody Viscosity)
DeepViscosity (Predict Antibody Viscosity)
DeepViscosity (Predict Antibody Viscosity)
Input: Your antibody sequences
Output: Predicted viscosity
Mode: Single input
Software Link:
Efficient Evolution of Antibody
ESMfold (Protein Structure Prediction)
DeepViscosity (Predict Antibody Viscosity)
Input: Your antibody VH/VL sequences
Output: Predicted mutations to improve affinity or developability
Mode: Single input
Software Link:
Boltzdesign1 (Ligand Binder Design)
ESMfold (Protein Structure Prediction)
ESMfold (Protein Structure Prediction)
Input: Your ligand in its SMILES format
Output: Designed binder sequences
Mode: Single input
Software Link:
ESMfold (Protein Structure Prediction)
ESMfold (Protein Structure Prediction)
ESMfold (Protein Structure Prediction)
Input: Protein in single-letter amino acid sequence
Output: Predicted 3D structure of a single protein or a protein complex
Mode: Single input
Software Link:
AntiFold (Predict Antibody Structure)
AntiFold (Predict Antibody Structure)
AntiFold (Predict Antibody Structure)
Input: Your antibody PDB file
Output: Predicted structure and optimized residues
Mode: Single input
Software Link:
PepFunn (All about Peptides)
AntiFold (Predict Antibody Structure)
AntiFold (Predict Antibody Structure)
Input: not required
Output: Generated peptide libraries and advanced analysis
Mode: Single input
Software Link (5 links):
LigandMPNN
AntiFold (Predict Antibody Structure)
Input: Your PDB file
Output: New protein sequences to meet your needs
Mode: Single input
Software Link:
Cell Therapy
Artificial Intelligence
Our cell therapy expertise allows us to engineer cells to target and treat a range of diseases, including cancer, autoimmune disorders, and more.
Regenerative Medicine
Artificial Intelligence
Artificial Intelligence
Our regenerative medicine solutions use stem cells and other advanced techniques to repair and replace damaged tissues, potentially providing a cure for previously untreatable conditions.
Artificial Intelligence
Artificial Intelligence
Artificial Intelligence
Our AI-powered drug discovery and development platform uses machine learning and other advanced techniques to accelerate the discovery of new treatments.
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Personal Coach
Computation Support
Local Deployments
We offer personalized one-on-one coaching to help beginners make the most of Google Colab. This gives you full control over the free tools listed above. If you run into any issues, we're also here to assist with troubleshooting.
Local Deployments
Computation Support
Local Deployments
We assist with deploying the software package to your local computer, allowing you to seamlessly integrate the computational pipelines into your workflow.
Computation Support
Computation Support
Computation Support
The computations require significant processing power and time, but we handle all of that for you. Additionally, we develop custom code tailored to your specific questions and needs.
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