Open-Source Cheminformatics and Machine Learning
Open-source online virtual screening tools for large databases
Approximate solvation free energy calculator
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Dynamics of quantum systems, controlled by external fields
Generation of molecular formulas by high-resolution MS and MS/MS data
OpenGrowth is a program which constructs de novo ligands for proteins.
Add on to kSNP for predicting phenotypes from SNPs in microbial genome
Time-dependent simulation of open and closed quantum systems
Open source electronic lab notebook (ELN) for scientists
Software for analysis of patch-clamp recordings and other wave data
A cross-platform interface for the *.mfj file format.
A tool to compute projections of membrane structures
Open-source cross-platform spectrometer device driver