PlayMolecule AITM is the first computational infrastructure for agentic superintelligence in molecular design.
Our foundational technology is already trusted by 18000+ researchers worldwide, as well as industry leaders.
Shift from a costly single-crafted molecule approach to scalable, data-driven discovery.
Slow, costly Design-Make-Test-Analyze cycles become efficient, automated iterations.
Discovery is bound to talent, hard to hire and retain. Push the barrier from talent-bound to compute-bound.
We've built and validated a full suite of computational tools, all unified under our natural-language AI interface.
Obtain rapid, verifiable answers from both public and proprietary data sources.
"Based on the literature, compare the binding pockets of D3R and D2R and summarize the main structural feature that could be exploited for ligand selectivity."
Screen vast chemical spaces and identify promising lead candidates.
"This is the SMILES code of a potent ITK inhibitor:
C[C@@H]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](c5ccccc5)
[C@H])5CCCCS5(=O)=O)c4)c3C[C@@H]1C2(F)F
Search the top 100 compounds similar to it."
Leverage cutting-edge methods including Free Energy Perturbation (FEP/RBFE) and generative AI to design and refine potent drug candidates.
"Rank my list of ligands based on binding affinity via RBFE, targeting TYK2."
Perform molecular dynamics simulations to understand protein flexibility, ligand binding kinetics, and allosteric effects.
"Build a 200x200 POPC membrane, build the complex system with my protein (3P0G) and the membrane oriented. Set-up the system and run it for 100 ns"
Access the latest publications supporting our platform.
Thermodynamics-Informed Accurate pKa Prediction and Protonation State Generation in PlayMolecule AI.
Speak to a Protein: An Interactive Multimodal Co-Scientist for Protein Analysis.
QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.
What is included in an Enterprise plan?
Enterprise plans are an all-inclusive solution tailored to your team. They typically include dedicated compute resources (on-premise or private cloud), full access to our entire platform of AI Drug Discovery Tools, our proprietary data integration services, team-wide licensing, and a dedicated scientific liaison for onboarding and support.
How will you help my team get started?
We partner with you to ensure success. Every Enterprise plan includes dedicated onboarding sessions led by our scientific liaisons. We'll work directly with your team to integrate your workflows and data. You'll have a direct line for both technical support and scientific consultation to help you get the most out of the platform for your specific R&D targets.
What are "Data Integration Services"?
Our team helps you securely connect your proprietary datasets (e.g., experimental results, compound libraries, genomic data) to our platform, ensuring the AI models can work effectively with your specific information.
How secure is my data?
Data security is our top priority. Our cloud plans use industry-best encryption and security protocols. For maximum control, our Enterprise plan offers an on-premise solution where your data never leaves your infrastructure.
