Check the new paper published in the Journal of Physical Chemistry Letters: Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and [...]

💫 We just released the weights of the FeNNixBio1 foundation machine learning model for drug design! 💫 Weights: https://github.com/FeNNol-tools/FeNNol-PMC FeNNol code: https://github.com/FeNNol-tools/FeNNol The models are [...]

Check this new important preprint introducing the FeNNix-Bio1 Foundation model, more news soon! A Foundation Model for Accurate Atomistic Simulations in Drug Design. T. Plé, [...]

New article published in JCTC: "Lambda-ABF: Simplified, Accurate and Cost-effective Alchemical Free Energy Computations" by L. Lagardère, L. Maurin, O. Adjoua, K. El Hage, P. [...]