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Search results for quantum chemistry molecular modeling
molecular-modeling
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quantum-chemistry
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5 search results found
Nabladft
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117
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Fermi.jl
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92
Fermi quantum chemistry program
Aimnet
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31
Atoms In Molecules Neural Network Potential
Donofsw
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13
Donostia Natural Orbital Functional Software
Turbomoleio
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12
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
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Python Quantum Chemistry (130)
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