Developing tools for AI in Chemistry.
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IBM
- Manchester, UK
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20:55
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topography-searcher
topography-searcher PublicForked from IBM/topography-searcher
This Python package is designed for mapping the solution space of machine learning models. An understanding of the organisation of the solution space can answer important questions about the reprod…
Python
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geodesic-interpolate
geodesic-interpolate PublicForked from virtualzx-nad/geodesic-interpolate
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
Python
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