A browser-based molecular orbital viewer
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Oct 3, 2026 - TypeScript
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molden
Here are 9 public repositories matching this topic...
A simple script written in Python to calculate bond lengths, BLA value (Bond Length Alternation), center of masses (CoM), distances between center of masses and bond angles of the given molecules, starting from a standard .xyz molecular geometry file.
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Apr 6, 2026 - Python
Remove the need to click the Skull Icon to leave Molden
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Oct 2, 2023
𝐨𝐩𝐞𝐧𝐖𝐅𝐍 — Open wavefunction analysis toolkit for computational chemistry, automation, and AI workflows.
python automation chemistry reproducible-research interoperability gaussian computational-chemistry scientific-computing quantum-chemistry orca cp2k wfx electronic-structure molden gamess qchem wfn qcschema wavefunction-analysis
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Oct 8, 2026 - Python
Exact electrostatic potential from a Gaussian-basis wavefunction, evaluated analytically and solved on the GPU
gpu cuda esp computational-chemistry quantum-chemistry orca molden electrostatic-potential multiwfn boys-function gaussian-basis
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Oct 12, 2026 - Python
Simple program to calculate Hydrogen Bonds
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Apr 26, 2020 - Python
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