Worship your favorite molecule by setting it as your wallpaper.

Scientific Computing for Chemists is a free text for teaching basic computing skills to chemists using Python, Jupyter notebooks, and the other Python packages. 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.

Easily create your own web proxy with no experience required.

Draw molecules with plotly!

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

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

Visualization and analysis platform for metabolic data and network pattern recognition

A high-performance chemical equation parser and balancer

Chemical Equation Balancing

A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, and Joback models are implemented.

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

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