𝐅𝐚𝐬𝐭𝐞𝐫 𝐌𝐨𝐥𝐞𝐜𝐮𝐥𝐚𝐫-𝐃𝐲𝐧𝐚𝐦𝐢𝐜𝐬 𝐰𝐢𝐭𝐡 𝐍𝐞𝐮𝐫𝐚𝐥 𝐍𝐞𝐭𝐰𝐨𝐫𝐤 𝐏𝐨𝐭𝐞𝐧𝐭𝐢𝐚𝐥𝐬 𝐯𝐢𝐚 𝐃𝐢𝐬𝐭𝐢𝐥𝐥𝐞𝐝 𝐌𝐮𝐥𝐭𝐢𝐩𝐥𝐞 𝐓𝐢𝐦𝐞-𝐬𝐭𝐞𝐩𝐩𝐢𝐧𝐠 𝐚𝐧𝐝 𝐍𝐨𝐧𝐜𝐨𝐧𝐬𝐞𝐫𝐯𝐚𝐭𝐢𝐯𝐞 𝐅𝐨𝐫𝐜𝐞𝐬
New paper published in the Journal of Chemical Theory and [...]
2026 Tinker Developer Meeting
And that's a wrap! The 2026 Tinker Developer Meeting returned [...]
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, [...]
Lambda-ABF with Colvars
New article published in JCTC: "Lambda-ABF: Simplified, Accurate and Cost-effective [...]
FeNNol
New article published in the Journal of Chemical Physics: "FeNNol: [...]
FENNIX
New article published in Chemical Science: Force-Field-Enhanced Neural Network Interactions: [...]
Deep-HP
New article published in Chemical Science: Scalable Hybrid Deep Neural [...]
Quantum-HP
New paper published in the Journal of Chemical Theory and [...]