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Pull requests: JuliaMolSim/Molly.jl

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Pull requests list

feat: Add ANI ML potential infrastructure
#260 opened Jun 1, 2026 by sivasathyaseeelan Collaborator Loading…
3 of 7 tasks
7
feat: Add Lux.jl-based Machine Learning Potentials integration
#259 opened May 28, 2026 by rainerrodrigues Loading…
11
Times Square Sampling
#258 opened May 26, 2026 by allexandre97 Collaborator Loading…
33
LAMMPS Calculator
#213 opened Aug 19, 2025 by ejmeitz Collaborator Loading…
13
Adding a Glue Type / N-Body Empirical Potential - the Finnis-Sinclair 1984 potential for single element systems
#32 opened Mar 21, 2021 by eschmidt42 Loading…
29
ProTip! Updated in the last three days: updated:>2026-06-04.