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NWChem
No analysis available
NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
Mostly written in language not available
Licenses:
ecl2
Bioclipse
Analyzed 5 months ago
The Bioclipse project is aimed at creating a Java-based, open source, visual platform for chemo- and bioinformatics based on the Eclipse Rich Client Platform (RCP). Bioclipse, as any RCP application, is based on a plugin architecture that inherits basic functionality and visual interfaces from
Licenses:
eclipse
gridcount
G
Analyzed 2 days ago
gridcount is an analysis tool for Gromacs that creates 3D (number) densities from molecular dynamics trajectories. Typically, this is used to look at the density of water or ions near proteins or in channels. It provides tools to generate the 3D map in portable formats, 2D cylindrical averages and 1D linear averages ("density profiles")
VoSeq
No analysis available
VoSeq is a database to store voucher and sequence data for phylogenetic analysis
Mostly written in language not available
Licenses:
cc-by-25
Toxtree (Toxic Hazard Estimation )
Analyzed 1 day ago
Description
Estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules:
-Cramer rules (oral toxicity)
-Toxicity mode of action via Verhaar scheme
-Skin irritation prediction
-Eye irritation prediction
-Benigni / Bossa rulebase for