quantumflow-open
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xtb
xtb PublicForked from grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
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OpenMolcas
OpenMolcas PublicForked from Molcas/OpenMolcas
The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multic…
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torchani
torchani PublicForked from aiqm/torchani
Accurate Neural Network Potential on PyTorch
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xtb-python
xtb-python PublicForked from grimme-lab/xtb-python
Python API for the extended tight binding program package
Python
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Create web-based user interfaces with Python. The nice way.
quantumflow-open/nicegui’s past year of commit activity - serenity Public Forked from qcserenity/serenity
The release-only repository of the subsystem focused quantum chemistry code Serenity
quantumflow-open/serenity’s past year of commit activity - qmflows Public Forked from SCM-NV/qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
quantumflow-open/qmflows’s past year of commit activity - nglview Public Forked from nglviewer/nglview
Jupyter widget to interactively view molecular structures and trajectories
quantumflow-open/nglview’s past year of commit activity
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