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Molecular Science Software
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Hot topics in Molecular Science Softwareavogadro 64-bits windows bowtie2 avogadro bowtie picard apbs matlab portable pdb2pqr nmr lammps
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Avogadro An intuitive molecular editor and visualization tool
2,710 weekly downloads -
Bowtie Bowtie, an ultrafast, memory-efficient short read aligner for short DNA sequences (reads) from next-gen sequencers. Please cite: Langmead B, et al. Ultrafast and memory-efficient alignment of short DNA sequences to the human genome. Genome Biol 10:R25.
2,603 weekly downloads -
APBS APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
482 weekly downloads -
picard A set of tools for working with high-throughput sequencing data
325 weekly downloads -
Gabedit Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
228 weekly downloads -
SASHIMI The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to our open mzXML format.
296 weekly downloads -
RasMol The SourceForge OpenRasMol project is an adjunct to the RasMol and OpenrasMol project at http://rasmol.org. It is hoped that the SourceForge OpenRasMol project will provide a convenient focal point for active collaborative contributions.
330 weekly downloads -
Toxtree: Toxic Hazard Estimation Toxicity prediction for chemical compounds
266 weekly downloads -
OpenCFU An application to count bacterial colonies and other circular objects
227 weekly downloads -
GSim - tool for NMR spectroscopy GSim - free software tool for visualisation and processing of experimental and simulated nuclear magnetic resonance (NMR) spectra.
92 weekly downloads -
RDKit Open-Source Cheminformatics and Machine Learning
174 weekly downloads -
SketchEl Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.
127 weekly downloads -
PDB2PQR PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB format to PQR format.
182 weekly downloads -
Ocean Optics Sample Pack Sample code for Ocean Optics OmniDriver spectrometer device driver
327 weekly downloads -
CAMPARI Software for molecular simulations and trajectory analysis
86 weekly downloads -
RasTop RasTop is a molecular graphics program intended for the visualisation of proteins, nucleic acids and small molecules based on the popular Rasmol software. The program is aimed at the rapid visualization and analysis of molecules.
165 weekly downloads -
Subread High-performance read alignment, quantification and mutation discovery
279 weekly downloads -
PyRx - Virtual Screening Tool Virtual Screening software for Computational Drug Discovery
239 weekly downloads -
kSNP kSNP does SNP discovery and SNP annotation from whole genomes
228 weekly downloads -
DNAStrider Mac upgraded to OSX, Lepard which do not support os9 anymore. This project is build to help DNA Strider user to get their data out and perform some basic DNA analyze function.
223 weekly downloads -
Bioclipse An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
63 weekly downloads -
LAMMPS LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.
43 weekly downloads -
Open3DQSAR Open3DQSAR is a free, open-source tool written in C aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs).
76 weekly downloads -
WavePacket (Matlab) Dynamics of quantum systems, controlled by external fields
69 weekly downloads -
open enventory Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
28 weekly downloads
