agamemnonc

Agamemnon Krasoulis's starred repositories

VFVS

VirtualFlow for Virtual Screening

Language:PythonGPL-2.014800

gnina

A deep learning framework for molecular docking

Language:C++Apache-2.057900

deepsnap

Python library assists deep learning on graphs

Language:PythonMIT53900

ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning

Language:PythonMIT189500

pennylane

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

Language:PythonApache-2.0221200

PyTorch-Deep-Dream

Minimal PyTorch implementation of Deep Dream

Language:PythonMIT14500

spleeter

Deezer source separation library including pretrained models.

Language:PythonMIT2535900

gnn-comparison

Official Repository of "A Fair Comparison of Graph Neural Networks for Graph Classification", ICLR 2020

Language:PythonGPL-3.037600

biopandas

Working with molecular structures in pandas DataFrames

Language:PythonBSD-3-Clause69800

optuna

A hyperparameter optimization framework

Language:PythonNOASSERTION1024700

Awesome-Graph-Neural-Networks

Paper Lists for Graph Neural Networks

218500

imbalanced-dataset-sampler

A (PyTorch) imbalanced dataset sampler for oversampling low frequent classes and undersampling high frequent ones.

Language:PythonMIT222900

MoNet

Pytorch reproduction of the paper "Gaussian Mixture Model Convolutional Networks" (CVPR 17)

Language:PythonMIT5500

DeepPurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Language:Jupyter NotebookBSD-3-Clause93900

dgl-lifesci

Python package for graph neural networks in chemistry and biology

Language:PythonApache-2.069800

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

Language:PythonApache-2.01324400

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Language:PythonMIT530800

pytorch-lightning

Pretrain, finetune and deploy AI models on multiple GPUs, TPUs with zero code changes.

Language:PythonApache-2.02757800

pretrain-gnns

Strategies for Pre-training Graph Neural Networks

Language:PythonMIT94800

distiller

Neural Network Distiller by Intel AI Lab: a Python package for neural network compression research. https://intellabs.github.io/distiller

Language:Jupyter NotebookApache-2.0432800

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

Language:PythonApache-2.057200

pytorch_geometric

Graph Neural Network Library for PyTorch

Language:PythonMIT2067000

Interactive_Tools

Interactive Tools for Machine Learning, Deep Learning and Math

222400

arpie

A compact and full featured MIDI arpeggiator, Open source, Arduino based

Language:C++7800

pycaret

An open-source, low-code machine learning library in Python

Language:Jupyter NotebookMIT869100

covid-19

Novel Coronavirus 2019 time series data on cases

Language:Python115700

Adafruit_CircuitPython_BLE_MIDI

BLE MIDI for CircuitPython

Language:PythonMIT1400

Deep_reinforcement_learning_Course

Implementations from the free course Deep Reinforcement Learning with Tensorflow and PyTorch

Language:Jupyter Notebook374800

dash

Data Apps & Dashboards for Python. No JavaScript Required.

Language:PythonMIT2094200

Arduino-Filters

Arduino Finite Impulse Response and Infinite Impulse Response filter implementations.

Language:C++GPL-3.011300