pdb2reaction (this repo) Pure-MLIP cluster-model reaction paths from PDB / XYZ / GJF — no MM force field required. mlmm-toolkit ML/MM ONIOM with the full protein environment; automates MM ...
Sometime around the last week of May 2026, attackers uploaded poisoned packages to three of the most widely used software registries on the internet within a span of roughly 48 hours. The targets were ...