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mukherjee07/ORCA-project-Li-ion-battery-material-discovery

These are important tools written for working with ORCA (a computational chemistry open source package) in a super-computing environment.…

computational-chemistry

data-extraction

cluster-computing

xyz-files

orca-quantum-chemistry

• Python
·
• 5
·
• Updated
  on Mar 9, 2023

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