Qi-max's Stars
opencv/opencv
Open Source Computer Vision Library
facebookresearch/fairseq
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
dmlc/xgboost
Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Dask, Flink and DataFlow
networkx/networkx
Network Analysis in Python
horovod/horovod
Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.
EpistasisLab/tpot
A Python Automated Machine Learning tool that optimizes machine learning pipelines using genetic programming.
keras-team/autokeras
AutoML library for deep learning
DEAP/deap
Distributed Evolutionary Algorithms in Python
snorkel-team/snorkel
A system for quickly generating training data with weak supervision
google-deepmind/graph_nets
Build Graph Nets in Tensorflow
apachecn/pytorch-doc-zh
Pytorch 中文文档
floydhub/dl-docker
An all-in-one Docker image for deep learning. Contains all the popular DL frameworks (TensorFlow, Theano, Torch, Caffe, etc.)
szilard/benchm-ml
A minimal benchmark for scalability, speed and accuracy of commonly used open source implementations (R packages, Python scikit-learn, H2O, xgboost, Spark MLlib etc.) of the top machine learning algorithms for binary classification (random forests, gradient boosted trees, deep neural networks etc.).
ClimbsRocks/auto_ml
[UNMAINTAINED] Automated machine learning for analytics & production
baidu-research/DeepBench
Benchmarking Deep Learning operations on different hardware
pygraphviz/pygraphviz
Python interface to Graphviz graph drawing package
Pymol-Scripts/Pymol-script-repo
Collected scripts for Pymol
ReactionMechanismGenerator/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
cryos/avogadro
Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
MarcusOlivecrona/REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
abinit/abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
SMTG-Bham/sumo
Heavyweight plotting tools for ab initio calculations
sundmanbo/opencalphad
Open Calphad, thermodynamic calculation code
HIPS/molecule-autoencoder
A project to enable optimization of molecules by transforming them to and from a continuous representation.
aspuru-guzik-group/ORGANIC
Code repo for optimizing distributions of molecules.
thynnine/pysic
Python library for advanced atomistic simulations
Qi-max/amlearn
Machine Learning Package Targeted for Amorphous Materials.
imodpasteur/ZOLA-3D
Zernike Optimized Localization Algorithm for 3D single molecule localizations
Qi-max/DiPGNN
MustafaMustafa/data-day-2018-DL-Scaling
Scaling Deep Learning on Cori: Hands-on Activities