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Name: Leela S. Dodda
Type: User
Company: Yale University
Bio: Drug Discovery@NimbusTx. Previously at VantAI & SiliconTx (Roivant companies). Yale@2018.
Twitter: LeelaDodda
Location: United States
Name: Leela S. Dodda
Type: User
Company: Yale University
Bio: Drug Discovery@NimbusTx. Previously at VantAI & SiliconTx (Roivant companies). Yale@2018.
Twitter: LeelaDodda
Location: United States
simple rdkit script
stylish_portfoliotheme
Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
Python source code for 3D/MI/QSAR models
:ab: ABC of chemoinformatics
AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations
Machine learning guided association of adverse drug reactions with in vitro off-target pharmacology
Atoms In Molecules Neural Network Potential
AIMNet-NSE model
An ALCHEMBED tutorial
OPLS/CM1A Topology and Parameter Generator for Relative FEP
Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for modernized and updated examples from the 2nd edition.
Example 📓 Jupyter notebooks that demonstrate how to build, train, and deploy machine learning models using 🧠 Amazon SageMaker.
Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
Scripts for breaking down a collection of molecules into analog series, getting R group tables and performing virtual screening. Off-memory and parallel computing approaches are implemented.
Anatomy of Matplotlib -- tutorial developed for the SciPy conference
AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
Collective variables by artificial neural networks
Machine learning models for antibody sequences in PyTorch
Material and note of the course of Applied ML in Python
open toolbox for structural comparison
ANI-1 neural net potential with python interface (ASE)
Python Scripts used within the AutoCouple methodology developped by the groups of Prof. Caflisch and Prof. Nevado
AutoDock for GPUs using OpenCL
AutoDock Vina
Automatic detection of equilibrated regions of molecular simulations
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.