jbalma
This is my personal github account; as such the contributions, views and opinions expressed here do not represent those of my employer.
Maxwell LabsMinnesota
jbalma's Stars
awesomedata/awesome-public-datasets
A topic-centric list of HQ open datasets.
google-research/google-research
Google Research
google-deepmind/graph_nets
Build Graph Nets in Tensorflow
benedekrozemberczki/awesome-graph-classification
A collection of important graph embedding, classification and representation learning papers with implementations.
Tencent/tencent-ml-images
Largest multi-label image database; ResNet-101 model; 80.73% top-1 acc on ImageNet
corundum/corundum
Open source FPGA-based NIC and platform for in-network compute
tensorflow/mesh
Mesh TensorFlow: Model Parallelism Made Easier
Open-Catalyst-Project/ocp
Open Catalyst Project's library of machine learning methods for catalysis
mlcommons/ck
Collective Knowledge (CK) and Collective Mind (CM): community projects to automate MLPerf and learn how to run AI, ML and other emerging workloads in a more efficient and cost-effective way across diverse models, datasets, software and hardware
3dem/relion
Image-processing software for cryo-electron microscopy
google-deepmind/lab2d
A customisable 2D platform for agent-based AI research
benedekrozemberczki/GAM
A PyTorch implementation of "Graph Classification Using Structural Attention" (KDD 2018).
CrayLabs/SmartSim
SmartSim Infrastructure Library.
LLNL/lbann
Livermore Big Artificial Neural Network Toolkit
maxjiang93/ugscnn
Spherical CNNs on Unstructured Grids Using Parameterized Differential Operators
HewlettPackard/dlcookbook-dlbs
Deep Learning Benchmarking Suite
deep500/deep500
A Deep Learning Meta-Framework and HPC Benchmarking Library
ss12f32v/GANsynth-pytorch
A simplified PyTorch implementation of GANsynth
PPPLDeepLearning/plasma-python
PPPL deep learning disruption prediction package
stasl0217/UKGE
Code and data for paper "Embedding Uncertain Knowledge Graphs"
benedekrozemberczki/NMFADMM
A sparsity aware implementation of "Alternating Direction Method of Multipliers for Non-Negative Matrix Factorization with the Beta-Divergence" (ICASSP 2014).
HEPTrkX/heptrkx-gnn-tracking
sparticlesteve/cosmoflow-benchmark
Benchmark implementation of CosmoFlow in TensorFlow Keras
Chen-Cai-OSU/hea-ml
Machine Learning for High Entropy Alloy
CLEANit/heatenginegym
A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.
jbalma/pharml
PharML is a framework for predicting compound affinity for protein structures. It utilizes a novel Molecular-Highway Graph Neural Network (MH-GNN) architecture based on state-of-the-art techniques in deep learning. This repository contains the visualization, preprocessing, training, and inference code written in Python and C. In addition, we provide an ensemble of pre-trained models which can readily be used for quickly generating rank-ordered predictions of compound affinity relative to a given target. DISCLAIMER: Compounds predicted by PharML.Bind should not be used without consulting a doctor or pharmacist - all results should be considered unverified and used only as a starting point for further investigation. Use at your own risk!
mlperf-deepts/nns
Estimating neural network runtime characteristics
sparticlesteve/nersc-pytorch-build
Build scripts for PyTorch @ NERSC
sparticlesteve/heptrkx-gnn-tracking
sparticlesteve/ocp
https://opencatalystproject.org/