AI Biology & Docking
@djplabdyn.bsky.social
Confronting the AI Revolution in Structural Biology, Molecular Dynamics, and Drug Design
Gromacs 2025.0 provides basic support for running simulations with Neural Network Potential (NNP) [models](manual.gromacs.org/current/refe...
[TorchAny FF](raw.githubusercontent.com/aiqm/torchan...)
[TorchAny FF](raw.githubusercontent.com/aiqm/torchan...)
February 17, 2025 at 5:02 PM
Gromacs 2025.0 provides basic support for running simulations with Neural Network Potential (NNP) [models](manual.gromacs.org/current/refe...
[TorchAny FF](raw.githubusercontent.com/aiqm/torchan...)
[TorchAny FF](raw.githubusercontent.com/aiqm/torchan...)
For years, my role teaching this advanced structural biology course involved chronicling the gradual progress in computational biology...
November 23, 2024 at 2:14 PM
For years, my role teaching this advanced structural biology course involved chronicling the gradual progress in computational biology...