Softwar Developed Details
S.No. Software Name Web Address Publicly Available Architecture Details/Flowchart Publication for Developed Database Min System Requirement Other Details
1 MPDS-COVID19 https://mpds.neist.res.in:8085/ Yes http://14.139.62.220/software_uploads/325.jpg http://14.139.62.220/published_databases/323.pdf 4GB RAM This is a portal for computational drug discovery along with the COVID-19 information
2 MPDS Compound Library https://mpds.neist.res.in:8086/ Yes http://14.139.62.220/software_uploads/326.jpg http://14.139.62.220/published_databases/327.pdf 4GB RAM This database contains 150 million small molecules with structure based classification.
3 Aromatic-Aromatic Interaction Database https://acds.neist.res.in/a2idv2/ Yes http://14.139.62.220/software_uploads/328.jpg http://14.139.62.220/published_databases/329.pdf 4GB RAM A comprehensive repository dedicated to documenting aromatic-aromatic (?-?) networks observed in experimentally determined protein structures.
4 Cation - Aromatic Interaction Database https://acds.neist.res.in/cadv2/ Yes http://14.139.62.220/software_uploads/330.jpg http://14.139.62.220/published_databases/331.pdf 4GB RAM A comprehensive repository of cation-aromatic motifs found in experimentally determined protein structures
5 North East India Medicinal Plant Database https://neist.res.in/neimpdb/ Yes http://14.139.62.220/software_uploads/332.jpg http://14.139.62.220/published_databases/333.pdf 4GB RAM The database is a collection of 561 unique plants comprising of 9225 phytochemicals from North East India
6 online structural and analytics based database https://neist.res.in/osadhi/index.html Yes http://14.139.62.220/software_uploads/334.jpg http://14.139.62.220/published_databases/335.pdf 4GB RAM OSADHI is a PAN India database of medicinal plants and phytochemicals
7 Neimpdb https://neist.res.in/neimpdb/ Yes http://14.139.62.220/software_uploads/26.png http://14.139.62.220/published_databases/27.pdf Cent Linux OS, Intel Xeon scalable processor with 256GB, 8TB HDD RAM The descriptors of the molecules are calculated using RDKit and ADME properties are calculated using ADMETlab 2.0.
8 Osadhi https://neist.res.in/osadhi/ Yes http://14.139.62.220/software_uploads/28.png http://14.139.62.220/published_databases/29.pdf Cent Linux OS, Intel Xeon scalable processor with 256GB, 8TB HDD RAM The descriptors of the molecules are calculated using RDKit and ADME properties are calculated using ADMETlab 2.0.
9 Galaxy platform http://mpds.neist.res.in:8085 Yes http://14.139.62.220/software_uploads/68.png No File Cent Linux OS, Intel Scalable processor with 256 GB RAM, 11 TB HDD The manuscript "Molecular Property Diagnostic Suite COVID-19 (MPDS-COVID19)" is submitted to the journal.