chemical topic
chemcoord
A python module for manipulating cartesian and internal coordinates.
3d-periodic-table
3D Periodic Table Viewer
avogadrio
Worship your favorite molecule by setting it as your wallpaper.
icn3d
web-based protein structure viewer and analysis tool interactively or in batch mode
SciCompforChemists
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 incl...
thermosteam
BioSTEAM's Premier Thermodynamic Engine
transformers-ner
Experiment on NER task using Huggingface state-of-the-art Transformers Natural Language Models library
Chemical-Engineering-Thermodynamics
User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are re...
xch-project
A high-performance chemical equation parser and balancer