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6 search results found
Scicompforchemists
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149
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
Chemcoord
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58
A python module for manipulating cartesian and internal coordinates.
Thermosteam
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53
BioSTEAM's Premier Thermodynamic Engine
Mychem.info
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14
MyChem.info: A BioThings API for chemical/drug annotations
Pyequion2
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13
Pure python package for electrolyte equilibrium calculation
Pubgpt
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12
Extract relevant informations in PubMed papers in a simple way.
Transformers Ner
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12
Experiment on NER task using Huggingface state-of-the-art Transformers Natural Language Models library
Csg
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6
Chemical Structure Generator
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