lachrymator Goto Github PK
Name: Jeff Warrington
Type: User
Bio: Organic chemist and drug discovery data scientist living near Boston, MA
Location: Arlington, MA
Name: Jeff Warrington
Type: User
Bio: Organic chemist and drug discovery data scientist living near Boston, MA
Location: Arlington, MA
AutoDock Vina
Genome sequencing of blackgrass and Non-target site herbicide resistance
Official repo of CarsiDock proposed by CarbonSilicon AI.
// PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
Message Passing Neural Networks for Molecule Property Prediction
Coursera Course on Getting & Cleaning Data Associated Files
Coursera Data Science GitHub
The Leek group guide to data sharing
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
Scoring of shape and ESP similarity with RDKit
Notebooks demonstrating how to do simple tasks related to free energy calculations.
Plotting Assignment 1 for Exploratory Data Analysis
Coursera Exploratory Data Analysis
FrameDiPT: an SE(3) diffusion model for protein structure inpainting
A deep learning framework for molecular docking
Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
Alchemical mutation scoring map
Cloud-based molecular simulations for everyone
A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
active learning for accelerated high-throughput virtual screening
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
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.