2 citations · 3 across the 2 of their papers we have counts for
3 papers
MD-LLM-2: A Transferable Language Model of Molecular Dynamics with Physical Conditioning and Explicit Path Probabilities
Mhd Hussein Murtada, Z. Faidon Brotzakis, Michele Vendruscolo
Molecular dynamics (MD) simulations model the motion of proteins between conformational states, but crossing free energy barriers and sampling multiple thermodynamic conditions rem…
MD-LLM-1: A Large Language Model for Molecular Dynamics
Mhd Hussein Murtada, Z. Faidon Brotzakis, Michele Vendruscolo
Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems o…
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Gareth A. Tribello, Massimiliano Bonomi, Giovanni Bussi +60
In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific p…