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dralgroup/mlatom

AI-enhanced computational chemistry

Owner
dralgroup (personal account)
Stars
Stars: 168
Forks
Forks: 26
Language
Python
License
Apache-2.0
Created
2023
Topics
artificial-intelligencecomputational-chemistrymachine-learningmachine-learning-potentialquantum-chemistryquantum-chemistry-programsquantum-mechanicsdeep-learningkernel-methodkernel-ridge-regression
Tier
Prototype (100 to 249 ★) What this tier means
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