exalearn Goto Github PK
Name: ExaLearn
Type: Organization
Bio: ECP Exascale Machine Learning Project
Name: ExaLearn
Type: Organization
Bio: ECP Exascale Machine Learning Project
TF-Agents: A reliable, scalable and easy to use TensorFlow library for Contextual Bandits and Reinforcement Learning.
2D CH solver using PETSc
2D Cahn Hilliard solver
Library for steering campaigns of simulations on supercomputers
Code and analyses related to the ExaLearn drug design efforts
DeepDriveMD implemented with Colmena
Tutorial materials used by Design subgroup for the ECP Annual Meeting
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Workflow tools for electrolyte design project
ASE calculator interface for ExaChem
Designing new molecules as fast as possible with AI and simulation
Designing new redoxmers with ExaMol
Scalable Framework for Reinforcement Learning
Toolkit for rapidly assembling forcefields on HPC
HydroNet: Benchmark Tasks for Preserving Long-range Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data, at the 34th Conference on Neural Information Processing Systems (NuerIPS), Workshop on Machine Learning and the Physical Sciences [https://arxiv.org/abs/2012.00131]
Simple Python library for computing structure function stuff.
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the Global and Local Minimum Energy Structures of Neutral Water Clusters.
Study of approaches for distributing scientific workflows across multiple computing sites
Keras layers for end-to-end learning on molecular structure.
Evaluate workflow approaches for steering an ensemble of NWChem computations
Objective Driven Experiment Design framework
Parsl - Parallel Scripting Library
Python interfaces to the Thole-type model (TTM) potential for water
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Quantum chemistry program executor and IO standardizer (QCSchema).
A distributed compute and database platform for quantum chemistry.
A client interface to the QCArchive Project (read-only image of QCFractal)
Planning which codes to use to replace NWChem on Polaris
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.