giribio/ML-Notebooks

:fire: A series of code examples for all sorts of machine learning tasks and applications. https://ift.tt/5Yh0fXe giribio June 6, 2022 at 12:59AM

giribio/gmx_MMPBSA

gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files. https://ift.tt/T3rRZjh giribio May 27, 2022 at 02:56PM

giribio/VSFlow

https://ift.tt/Z0bDRQE giribio May 26, 2022 at 01:26AM

giribio/deepcadd

https://ift.tt/UpFb4Pr giribio May 18, 2022 at 11:37AM

giribio/deeplonge

https://ift.tt/kV7SPdR giribio May 18, 2022 at 11:37AM

giribio/deepaging

https://ift.tt/xqZ3YTp giribio May 18, 2022 at 11:36AM

giribio/codespace

Codespace testing - azure https://ift.tt/yur9OTx giribio May 11, 2022 at 01:22PM

giribio/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry https://ift.tt/BYm4h0W giribio May 11, 2022 at 11:25AM

giribio/ASKCOS

Software package for computer aided synthesis planning https://ift.tt/LOXW1Vf giribio April 14, 2022 at 05:40PM

giribio/DockQ

DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol https://ift.tt/3HNiYnv giribio November 23, 2021 at 05:17PM

giribio/torchdrug

A powerful and flexible machine learning platform for drug discovery https://ift.tt/3jyQzYc giribio August 31, 2021 at 11:22PM

giribio/VMDscripts

VMD Tcl language scripts of molecular dynamics modeling, analyzing, and visualization. https://ift.tt/38taBNF giribio August 31, 2021 at 11:18PM

giribio/alphafold

Open source code for AlphaFold. https://ift.tt/3kAPpee giribio August 31, 2021 at 11:16PM

giribio/GPCR_LigandClassify

https://ift.tt/3yvMVmj giribio August 31, 2021 at 11:15PM

giribio/ML-Models-Comparion-Indian-Liver-Data-Set

Comparison of ML Models with ILPD (Indian Liver Patient Dataset) Data Set which contains 10 variables that are age, gender, total Bilirubin, direct Bilirubin, total proteins, albumin, A/G ratio, SGPT, SGOT and Alkphos. https://ift.tt/38y4OpS giribio August 31, 2021 at 11:15PM

giribio/PyRMD

AI-powered Virtual Screening https://ift.tt/38kQC3q giribio August 26, 2021 at 06:40PM

giribio/R-tips

A repository of R usage tips for data cleaning, data mining, data visualisation, statistical inference and machine learning. https://ift.tt/3if3j5G giribio August 1, 2021 at 12:23PM

giribio/chembl_webresource_client

Official Python client for accessing ChEMBL API. https://ift.tt/2UUd7sI giribio July 19, 2021 at 10:33PM

giribio/FEPrepare

https://ift.tt/3Bq6DTk giribio July 18, 2021 at 09:58AM

giribio/mscreen

https://ift.tt/3r0IOg5 giribio July 11, 2021 at 06:04PM