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PoseidonQ - AI/ML Based QSAR Modeling

ML based QSAR Modelling And Translation of Model to Deployable WebApps

- This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible. - Published in ACS, Journal of Chemical Information and Modeling . Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372 - Simple to use and no compromise on essential features necessary to make reliable QSAR models. - From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp. For any feedback or queries, contact kabeermuzammil614@gmail.com - Available on...

Downloads: 15 This Week

Last Update: 2026-03-26
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2

ASCEND modelling environment

ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid

19 Reviews

Downloads: 8 This Week

Last Update: 2014-09-23
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3

cca-forum

Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.

1 Review

Downloads: 0 This Week

Last Update: 2013-04-26
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4

Brenner Molecular Dynamics

BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.

1 Review

Downloads: 1 This Week

Last Update: 2013-04-18
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