with the selected classifier
Framework for high-throughput calculations with ABINIT
Python package to automate ABINIT calculations and analyze the results.
Scienta Omicron (NanoScience) (NanoTechnology) MATRIX Control System result file accessing tool
Accelerated Charge and Energy Transfer Objects
An Artificial Chemistry Tookit
The ADER method for solving any (potentially very stiff) hyperbolic system of PDEs
A powerful diagram generator and evaluator for many-body formalisms in physics and chemistry
AiiDA plugin for running the CRYSTAL17 code
Various Python tools for use with BlueSky at the APS
Python API for the Quantum Espresso software
Mass/UV Spectral Analysis Program
A package for running multiple executable scripts on both local and remote hosts, configured using a modern standard YAML
A molecular modeller and file parser.
Shows protein backbone structures in compact graphical form using Ramachandran numbers
Band alignment plotting tool
A chemical equation balancer.
BHMM: A toolkit for Bayesian hidden Markov model analysis of single-molecule trajectories.
A repository for modules and applications to aid in the design and analysis of Biological molecules, especially when working with Rosetta or PyRosetta.
Tools for dealing with metal binding sites.