best-of-atomistic-machine-learning
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JuDFTteam
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
To finish this update: Select Merge pull request below and Confirm merge. Also, make sure to publish the created draft release in the [releases section](../releases) as well.
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Quarterly update 2024-03. Reusing procedure described in issue #181, resp. #94 comments. Subtasks. - [x] #303 - [x] close external issues - #233, #268, #295, #298 - [x] add new...
**Project details:** - Project Name: mag-ace - Description: Magnetic ACE potential. FORTRAN interface for LAMMPS SPIN package. - Github URL: https://github.com/mttrin93/mag-ace - Category: ml-iap - Labels: magnetism, md, lang-fortran -...
**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...
**Project details:** - Project Name: AI for Science 101 - Homepage: https://ai4science101.github.io/ - resource: true - Category: education - Labels: community, rep-learn - License: None found - Package Managers: None...
**Project details:** - Project Name: Awesome-Graph-Generation - Description: A curated list of up-to-date graph generation papers and resources. - Github URL: https://github.com/yuanqidu/awesome-graph-generation - Category: community - Labels: rep-learn - License:...
**Project details:** - Project Name: KSR-DFT - Github URL: https://github.com/pedersor/ksr_dft - Category: ML-DFT - Labels: None - License: Apache-2.0 - Package Managers: None **Additional context:** Added for archival purposes, superseded...
**Project details:** - Project Name: Q-stack - Github URL: https://github.com/lcmd-epfl/Q-stack - Category: ml-dft - Labels: excited-states, general-tool - License: MIT - Package Managers: None **Additional context:**
**Project details:** - Project Name: rho_learn - Github URL: https://github.com/jwa7/rho_learn - Category: ml-dft - Labels: - License: MIT - Package Managers: None **Additional context:** No publication associated at time of...
**Project details:** - Project Name: QMLearn - Description: Quantum Machine Learning by learning one-body reduced density matrices in the AO basis. https://doi.org/10.1038/s41467-023-41953-9 - GitLab URL: https://gitlab.com/pavanello-research-group/qmlearn - Category: ml-esm -...