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syapxlg's Projects

chemminetools icon chemminetools

ChemMine Tools: open source web framework for small molecule analysis

cinfony icon cinfony

Simplified and standard interface to a number of cheminformatics toolkits

deepchem icon deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

django-blast icon django-blast

NCBI-BLAST web service with python backend and HTML5 frontend.

fpocket icon fpocket

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).

mdk icon mdk

Model Development Kit (MDK) - a library for managing metabolic information related to models. This code was created by members of the Cheminformatics and Metabolism group, EMBL-EBI

polyply_1.0 icon polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

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