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Name: Leela Dodda
Type: User
Name: Leela Dodda
Type: User
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.
CReM: chemically reasonable mutations framework
Library for prediction of cryptic binding sites
A collection of various deep learning architectures, models, and tips
An exploration strategy improves the diversity of de novo drug design using deep reinforcement learning
eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
Source code for code snippets sumbitted to the Expert Opinion on Drug Discovery
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
An implementation of the Free-Wilson SAR analysis method using the RDKit
Graph-based genetic algorithm
Baselines models for GuacaMol benchmarks
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
MoleculeKit: Your favorite molecule manipulation kit
MOPAC version 7 (public domain)
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
A dependency-free cross-platform swiss army knife for PDB files.
MD pharmacophores and virtual screening
Modification of the code of Rajarshi Guha (which uses OECHem) to use RDKIT.
RDKit Tools for the IPython Notebook
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
Deep Reinforcement Learning for de-novo Drug Design
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.