
Achira builds atomistic simulation models that generate high-fidelity synthetic molecular data to accelerate drug discovery. It uses a hybrid approach combining geometric deep learning with physics-based simulations, quantum chemistry methods, and principles from statistical mechanics to model molecular dynamics at the atomistic scale. The company produces foundation simulation models and synthetic datasets that enable screening, lead optimization, and downstream machine learning workflows. Achira operates as a B2B computational platform for pharmaceutical and biotech research teams, integrating with common computational chemistry pipelines and ML toolchains. Its technology targets gaps where traditional molecular simulation methods are too slow or limited in scale.

Achira builds atomistic simulation models that generate high-fidelity synthetic molecular data to accelerate drug discovery. It uses a hybrid approach combining geometric deep learning with physics-based simulations, quantum chemistry methods, and principles from statistical mechanics to model molecular dynamics at the atomistic scale. The company produces foundation simulation models and synthetic datasets that enable screening, lead optimization, and downstream machine learning workflows. Achira operates as a B2B computational platform for pharmaceutical and biotech research teams, integrating with common computational chemistry pipelines and ML toolchains. Its technology targets gaps where traditional molecular simulation methods are too slow or limited in scale.
What they do: Build atomistic simulation models and synthetic molecular datasets to accelerate drug discovery
Customers: Pharmaceutical and biotech research teams (B2B computational platform)
Founders / leadership: John Chodera; Theofanis Karaletsos
HQ: New York, NY, United States
Latest funding: Seed $33,000,000 (Feb 24, 2025)
Drug discovery — atomistic-scale molecular simulation and synthetic data generation.
2024
Biotechnology
33000000
Reported seed round with participation from Amplify Partners, Dimension (Dimension Capital), NVIDIA (NVentures), and Compound
“Amplify Partners; Compound; Dimension Capital; NVentures”