Pawan Kumar's Projects
simple rdkit script
Open Deep Learning and Reinforcement Learning lectures from top Universities like Stanford, MIT, UC Berkeley.
Search and color code the text in the PDF for better readability
rdkit_cats2d
Chemical Property Prediction with Graph Convolutional Networks
Course Files for Complete Python 3 Bootcamp Course on Udemy
The Data Engineering Cookbook
Descriptor computation(chemistry) and (optional) storage for machine learning
Django 3 by Example, published by Packt
Dynamic phormacophore from the protein binding site
eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
Dynamic programming based Hydrogen Bond alignemnt between two protein conformaitons
Program to incorporate internal water molecules to GPCR models
A wxPython graphical interface for the PyRosetta and Rosetta protein modeling suites
Learning Python 5th edition Code (Mark Lutz)
Jupyter Notebook for Chemical analysis
machine learning and deep learning tutorials, articles and other resources
Scripts for Ploting, database management and many more
first try of github
List neighboring Residues of selected Residue/Ligand in Protien Structure
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315
An introduction to data science using Python and Pandas with Jupyter notebooks
See http://dx.doi.org/10.1039/C7SC04156J for more details
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
Discovery of biological sequence motifs in R
Can we Predict Active Compounds in OSM Series 4?