Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models Using Multiple Time Steps and Distillation
Check the new paper published in the Journal of Physical [...]
Release of the FeNNixBio1 foundation machine learning model for drug design
💫 We just released the weights of the FeNNixBio1 foundation [...]
A Foundation Model for Accurate Atomistic Simulations in Drug Design
Check this new important preprint introducing the FeNNix-Bio1 Foundation model, [...]
Tinker-HP GPU version available on GitHub
Tinker-HP is now available on NVIDIA GPUs!!! It enables [...]
Tinker-HP fighting against the COVID-19
15.14 Mics SARS_Cov2 Protease data - Full trajectory: AMOEBA_15mics_sampling [...]