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Name: Prasad
Type: User
Name: Prasad
Type: User
(Linux) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
a comprehensive repository designed to empower researchers, scientists, and enthusiasts in the fields of bioinformatics and biotechnology. This repository serves as a one-stop destination for a myriad of invaluable resources, ranging from insightful guides and cutting-edge research papers to informative podcasts, web tools, and efficient workflows
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.
A fast and efficient multi-spectrum anlayzer for 2-D NMR Fragment Screening based on SMOTE-ENN machine-learning discriminator.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
SMILES Depiction Generator
GROMACS Tutorials
Benchmarks for generative chemistry
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.
Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
molgears
WebGL based molecular viewer
myChEMBL Interface
Release Notes for NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis with Multi-State Equilibrium Binding Models. PLEASE SCROLL DOWN TO SEE DOWNLOAD LINKS.
JavaScript port of OpenChemLib
Catalog of Open Source Molecular Modeling Projects
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
Simple RDKit molecule editor GUI using PySide
RDKit related blog posts, notebooks, and data.
Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Macromolecular viewer for crystallographers (WebGL)
A project for password-protecting page(s) on your website through an interstitial verification page.
Supporting code for the paper «Generative molecular design in low data regimes»
Adding Virtual Screening Analysis Functionality to Vina
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.