Search Results for "python calculator"

ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.

The Acids and Bases chapters' (14 and 15) calculations are arguably the hardest calculations in all of AP Chemistry. With some problems taking as long as ten minutes to solve, the can be hard to wrap the mind around. However, with the Acids and Bases Program, a quick answer is never more than a click away.

Soluton Percenter is a program for making solutions percent. Maked by python and PyQt4 module. For chemists, mathematicians and barmans. Program can create advanced recipes and print them.

This is an isotopic pattern calculator written in python. It depends on re, sys, numpy, operator, itertools, and matplotlib.

Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.

A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.