MAPLE Publications
Papers describing the MAPLE framework and its applications.
News & Updates
Release announcements and project updates. See all releases on GitHub.
MAPLE v0.1.3
Expanded MD workflows with NVT/NPT support, GROMACS-style MDP configuration, restart/trajectory improvements, task-aware UMA sizing, MACEPol integration, and IRC/debug cleanup.
Release notes on GitHub →
MAPLE v0.1.1
Added AutoNEB with adaptive image insertion, NVE molecular dynamics, SDCG optimizer with GDIIS acceleration, new IRC integrators (EulerPC, HPC, LQA), rigid scan mode, and input/parser improvements.
Release notes on GitHub →
MAPLE v0.1.0
First public release with frequency analysis, broad ML potential support (ANI, AIMNet2, MACE-OFF23, UMA), geometry optimization, transition state search, IRC, PES scan, solvation, constraints, GPU acceleration, and D4 dispersion.
Release notes on GitHub →
