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Name: vas penu
Type: User
Name: vas penu
Type: User
100 Days of ML Coding
Language models for drug discovery using torchrl
Running biased simulations with PLUMED and ACEMD
Implementation contained in "How effectively can adaptive sampling methods capture spontaneous ligand binding"
Cryptic pocket prediction using AlphaFold 2
AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.
A tool for retrosynthetic planning
AutoDock for GPUs and other accelerators
Compilation of R and Python programming codes on the Data Professor YouTube channel.
Using Data Science to Calculate Accurate Customer Lifetime Value (CLV)
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.
Collection of movies demonstrating exchange, T1 relaxation (CSA)
Contact map analysis for biomolecules; based on MDTraj
Acellera has been doing some extra time work to investigate SARS-CoV-2 proteins
Predict RNA chemical shifts based on motif
Conditional Transformer Language Model for Controllable Generation
DeepSoluE
Autonomous analysis of 1H anti-phase CEST experiments using DNNs
.pdbqt, .maps.fld, and supporting files made with autogrid for molecular docking.
dynAMMo is a Python library designed to enhance the capabilities of traditional Markov Models by incorporating dynamic observables and providing tools for the analysis of biomolecular dynamics through augmented Markov models.
user-friendly and scalably execute adaptive sampling molecular dynamics on HPCs
An Open-Source Molecular Builder and Free Energy Preparation Workflow
Deep Neural Networks for Analysing NMR time domain data
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
The PDF Summary Generator is a Python-based application that leverages the capabilities of OpenAI's GPT-3.5-turbo language model to automatically generate summaries, notes, and other content from PDF documents.
Create force-directed graphs of RNA secondary structures.
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock 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.