vipster
Molecular visualization and editing toolkit
Molecular visualization and editing toolkit
Jupyter widget for Vipster
A unified platform for theoretical and computational chemists.
Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
MicroFlex - The World's First Microplate Library
Math and Chemistry equations support for Mudawanah
A molecular generation engine
A molecular visualization engine powered by MCUL
A class for standardizing how peptide spectrum matches (PSMs) are handled
Chemical data formats
Molecule
Molecule
A unified platform for theoretical and computational chemists.
A general purpose module for parsing FASTA files
Convert electronic configuration to electrons per shell
API for gathering the histories of each chemical element
Annotate GPML pathways with Rhea identifiers
A general purpose module for parsing mgf files
A JS implementation of the emass algorithm
tiny server to convert inchi<->molecule