Pinned Repositories
agingdata
All data used to design novel molecules for enrichment or inhibition of certain aging related biological targets
autismML
basics
How to start with Jupyter, Python, Libs, Github and Models
giribio
giribio.github.io
Giri's repositories for public
knime
Free KNIME Workflows
MDNotebooks
Jupyter Notebooks for Molecular Dynamics
ModellerNotebooks
Running Modeller for Protein Modelling using Python and Jupyter Notebooks
QSAR
QSAR/QSPR Management...
VMDscripts
VMD Tcl language scripts of molecular dynamics modeling, analyzing, and visualization.
giribio's Repositories
giribio/MDNotebooks
Jupyter Notebooks for Molecular Dynamics
giribio/basics
How to start with Jupyter, Python, Libs, Github and Models
giribio/ModellerNotebooks
Running Modeller for Protein Modelling using Python and Jupyter Notebooks
giribio/giribio
giribio/ML-Notebooks
:fire: A series of code examples for all sorts of machine learning tasks and applications.
giribio/awesome-notebooks
Ready to use data science templates, organized by tools to jumpstart your projects and data products in minutes. 😎 published by the Naas community.
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.
giribio/knime
Free KNIME Workflows
giribio/Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
giribio/alphafold
Open source code for AlphaFold.
giribio/ASKCOS
Software package for computer aided synthesis planning
giribio/codespace
Codespace testing - azure
giribio/deepaging
giribio/deepcadd
giribio/deeplonge
giribio/DLbook
Understanding Deep Learning - Simon J.D. Prince
giribio/DockQ
DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
giribio/ESP_DNN
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
giribio/fpocket
fpocket is a very fast open source protein pocket detection algorithm
giribio/GRaSP
https://grasp.ufv.br/
giribio/lazypredict
Lazy Predict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning
giribio/PRosettaC
giribio/PyRMD
AI-powered Virtual Screening
giribio/pythonforbiochemists
Resources for the February 22 Crash Course at IQB Rutgers Python Scripting for BMB
giribio/R-tips
A repository of R usage tips for data cleaning, data mining, data visualisation, statistical inference and machine learning.
giribio/SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
giribio/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
giribio/SiteFerret
Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest
giribio/torchdrug
A powerful and flexible machine learning platform for drug discovery
giribio/VSFlow