mwitman1

mwitman1's Stars

• sandialabs/chemical-recommender-system

  Platform for rapid computation of molecular similarity and integration of custom machine learning models

  Language:Python9

• experimental-design/bofire

  Experimental design and (multi-objective) bayesian optimization.

  Language:Jupyter Notebook21823

• IntelLabs/bayesian-torch

  A library for Bayesian neural network layers and uncertainty estimation in Deep Learning extending the core of PyTorch

  Language:Python52673

• materialsvirtuallab/pymatgen-analysis-diffusion

  This add-on to pymatgen provides tools for analyzing diffusion in materials.

  Language:Python9556

• RelationRx/pyrelational

  pyrelational is a python active learning library for rapidly implementing active learning pipelines from data management, model development (and Bayesian approximation), to creating novel active learning strategies.

  Language:Python15112

• NVIDIA-Merlin/dataloader

  The merlin dataloader lets you rapidly load tabular data for training deep leaning models with TensorFlow, PyTorch or JAX

  Language:Python40325

• HarisIqbal88/PlotNeuralNet

  Latex code for making neural networks diagrams

  Language:TeX22k2.9k

• deepmodeling/deepmd-kit

  A deep learning package for many-body potential energy representation and molecular dynamics

  Language:C++1.5k507

• deepmodeling/dpgen

  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

  Language:Python301174

• FitSNAP/FitSNAP

  Software for generating machine-learning interatomic potentials for LAMMPS

  Language:Python14954

• materialsvirtuallab/maml

  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

  Language:Jupyter Notebook36579

• aimhubio/aim

  Aim 💫 — An easy-to-use & supercharged open-source experiment tracker.

  Language:Python5.2k319

• spiwokv/metadynminer3d

  Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)

  Language:HTML101

• YannDubs/Hash-Embeddings

  PyTorch implementation of Hash Embeddings (NIPS 2017). Submission to the NIPS Implementation Challenge.

  Language:Python19127

• materialsproject/reaction-network

  Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (formerly at Berkeley Lab).

  Language:Python8516

• usnistgov/fipy

  FiPy is a Finite Volume PDE solver written in Python

  Language:Python506148

• maroba/findiff

  Python package for numerical derivatives and partial differential equations in any number of dimensions.

  Language:Python44162

• Teoroo-CMC/PiNN

  A Python library for building atomic neural networks

  Language:Python10632

• williamFalcon/test-tube

  Python library to easily log experiments and parallelize hyperparameter search for neural networks

  Language:JavaScript73574

• ppocma/ppocma

  Language:Python6915

• eriklindernoren/PyTorch-GAN

  PyTorch implementations of Generative Adversarial Networks.

  Language:Python16.3k4.1k

• CryptoSignal/Crypto-Signal

  Github.com/CryptoSignal - Trading & Technical Analysis Bot - 4,100+ stars, 1,100+ forks

  Language:Python4.9k1.3k

• mwitman1/ColorBooked

  Automated generation of coloring book images

  Language:Python174

• lixilinx/psgd_tf

  Tensorflow implementation of preconditioned stochastic gradient descent

  Language:Python3414