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chem
Here are 11 public repositories matching this topic...
Transfrormation between Cartesian coordinates and redundant internal coordinates
chemistry computational-chemistry computational-physics coordinates chem coordinate-transformation electronic-structure phys internal-coordinates internal-redundant-coordinates geometry-optimization
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Jun 2, 2022 - C++
A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
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Apr 25, 2022 - Python
CHEM: Estimating and Understanding Hallucinations in Deep Learning for Image Processing
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Jun 22, 2026 - Jupyter Notebook
chem lab notebook with formulas, images, drawing and project goal tracking
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Apr 10, 2026 - Svelte
Alternate Sources and Energy - Chemistry Project
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Apr 21, 2016 - CSS
Deep Learning for Chem
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May 17, 2020 - Python
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