Comprehensive Drug Discovery Toolkit
Everything you need to accelerate every stage of your drug discovery pipeline.
Molecular Dynamics Simulations
Run large-scale molecular dynamics simulations with GPU-accelerated performance. Support for GROMACS, AMBER, NAMD, and OpenMM.
Virtual High-Throughput Screening
Screen millions of compounds against target proteins in hours instead of weeks using distributed GPU computing.
Generative AI for Drug Design
Leverage state-of-the-art generative models to design novel compounds with desired properties.
ADMET Prediction
Predict absorption, distribution, metabolism, excretion, and toxicity properties using AI models trained on proprietary datasets.
End-to-End Discovery Workflow
From target identification to preclinical analysis, streamline your entire pipeline.
Target Identification
Use AI to identify and validate drug targets from multi-omics data
Hit Discovery
Screen compound libraries with GPU-accelerated docking and scoring
Lead Optimization
Optimize leads using generative models and predictive ADMET
Preclinical Analysis
Comprehensive toxicity and efficacy predictions before trials
Integrated with Your Favorite Tools
Our platform supports all major computational chemistry and molecular modeling tools, pre-configured and optimized for GPU acceleration.
- GROMACS, AMBER, NAMD, OpenMM
- AutoDock, Glide, GOLD
- RDKit, OpenBabel, CDK
- PyMOL, VMD, Chimera
- Schrödinger Suite Integration