Pritam Kumar Panda

PandaDock. PandaDock: Physics based Molecular Docking with GNN Scoring

PandaMap. Ligand-Protein Interaction Mapping

Molecular-Dynamics. Self explained tutorial for molecular dynamics simulation using gromacs

Siesta. FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

ADMET-Prediction-System-Graph-Neural-Networks-with-RAG. A deep learning system that predicts Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular structures. The system combines Graph Neural Networks with a RAG-based LLM explainer to provide both predictions and mechanistic interpretations.

wxDragon. Automated DFT Input File Generator using wxDragon

PandaProt. A tool for mapping protein-protein, protein-nucleic acid, and antigen-antibody interactions

Omixium_YouTube_Channel. Tutorial Files

AtomicDockExplain. Post-docking atom-level energy attribution and explainable rescoring framework

Literature-Intelligence. Track, index, and analyze scientific papers from PubMed and bioRxiv for specific drug targets, compounds, or therapeutic areas.

Seqcore. High-performance biological sequence analysis library for Python. A unified, GPU-accelerated library for genomics, proteomics, structural biology, and drug design.

Bioinformatics-Scripts-R-Python. Bioinformatics Scripts in R and Python

Drug-Repurposing-Intelligence-System. An AI-powered system for discovering novel drug-disease relationships using Relational Graph Convolutional Networks (R-GCN) and Retrieval-Augmented Generation (RAG). This project integrates heterogeneous biomedical knowledge graphs with natural language processing to predict and explain potential drug repurposing candidates.

PandaMap-Color. PandaMap-Color: Protein-Ligand Interaction Mapper with customizable color schemes

pritampanda15. Profile stats

Grid-Box-Generator. This app helps you to generate or define grid box for Autodock Vina and Autodock4

PandaCite. A Python-based citation manager

Structify-Chemical-Structure-Converter. Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.

GROMACS-StepWizard. Calculate exact number of steps for your GROMACS molecular dynamics simulations .mdp files

Gromacs-Command-Finder. Gromacs Command Finder is a tool to search for gromacs specific comands like topology, trajectory analysis, PME, etc.

Drug-Designing. Drug Discovery Methods | Drug Designing Pipelines

Proteomics. Flow Cytometry analysis in R | Proteomics

Oncology-Drug-Response-Prediction-System_DL-RAG. This project implements a clinical decision support system that uses Deep Learning (DL) to predict cancer cell line response to various drugs and employs a Retrieval-Augmented Generation (RAG) pipeline to provide human-readable, context-specific explanations for the predictions.

Anthropic_codesignal_test. Anthropic Code Signal Test (90 minutes)

NGS-Workflows. Next-generation Sequencing workflows

PandaDock-GUI. Graphical Version of PandaDock

YouTube-Tutorials. Tutorials on bioinformatics, computational biology, molecular dynamics, and other specialized scientific tools and workflows.

ML-Genomics. Machine learning in Genomics

pdbprep. A comprehensive GUI application for preparing protein structures for molecular dynamics (MD) simulations with special focus on drug design applications.

single-cell-analysis-blueprint. NVIDIA

Optimus_Chemical_Analyzer. Optimus Chem - Comprehensive Chemical Analysis Package

ChemStudioPro. Swift

Visualization-Tools. Bioinformatics tools for schematics, data analytics and visualization

SSN-Sigil-Structured-Notation. A token-efficient notation format for LLM communication. Reduces token usage by 60-75% compared to JSON and NLP

AI-glossary. AI Concepts Glossary - Interactive Learning Platform