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best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
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Add project: Allegro-Legato
#265
Closed
Irratzo
closed
3 months ago
Irratzo
commented
7 months ago
Project details:
Project Name: Allegro-Legato
Description: An extension of Allegro with enhanced robustness and time-to-failure.
Github URL:
https://github.com/ibayashi-hikaru/allegro-legato
Category: ml-iap
Labels: md
License: MIT
Package Managers: None
Additional context:
press coverage.
https://ascr-discovery.org/2024/04/quanta-in-bulk/
abstract calls this kind of ML-IAP MD "Neural-network quantum molecular dynamics (NNQMD)"
Project details:
Additional context: