Worship your favorite molecule by setting it as your wallpaper.

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.

3D Periodic Table Viewer

web-based protein structure viewer and analysis tool interactively or in batch mode

A python module for manipulating cartesian and internal coordinates.

BioSTEAM's Premier Thermodynamic Engine

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 reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.

Experiment on NER task using Huggingface state-of-the-art Transformers Natural Language Models library

Visualization and analysis platform for metabolic data and network pattern recognition

A julia package for the manipulation of crystal net representations and topology

Draw molecules with plotly!

A high-performance chemical equation parser and balancer

Chemical Equation Balancing

MyChem.info: A BioThings API for chemical/drug annotations

A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries.

Chemical engineering calculations as Jupyter notebook

PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.

ligand-based virtual screening with consensus queries

Chemical Structure Generator