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2016-icml-gromov-wasserstein

Gabriel Peyré, Marco Cuturi, Justin Solomon, Gromov-Wasserstein Averaging of Kernel and Distance Matrices, Proc. of ICML 2016.

229-project

Machine Learning Final Project (Amit Badlani, Andre Esteva, Anand Sampat)

3dgcn

Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation

acgt

Accerelarting Chemical discovery with Graph Transformer

adamw-pytorch

Implementation and experiment for AdamW on pytorch

adjacent-attention-network

Graph neural network message passing reframed as a Transformer with local attention

affinewarp

An implementation of piecewise linear time warping for multi-dimensional time series alignment

agbtcode

algorithms

Various useful numerical algorithms which can be used almost standalone.

allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

alphafold2

To eventually become an unofficial Pytorch implementation of Alphafold2, as details of the architecture get released

ani1_dataset

A data set of 20 million calculated off-equilibrium conformations for organic molecules

ann-md

My master thesis: Using neural networks as hyper-potential surfaces in MD

aprl-ssp

Substructure Search Program; accompanies manuscript http://dx.doi.org/10.5194/acp-16-4401-2016

arboretum

Gradient Boosting powered by GPU(NVIDIA CUDA)

ase_ani

ANI-1 neural net potential with python interface (ASE)

atom-in-smiles

Atom-in-SMILES tokenizer for SMILES strings.

attentivefp

attfp-pyg

auglichem

autoaugment-unofficial

Reproduction of AutoAugment from Google

autoencoder-tensorboard-t-sne

Plugging TensorBoard in an autoencoder on the MNIST dataset for demonstrating t-SNE embeddings visualization of unsupervised machine learning.

bartsmiles

BARTSmiles, generative masked language model for molecular representations

behance_release

PyTorch code for Expressive 2019 ``Learning from Multi-domain Artistic Images for Arbitrary Style Transfer''

best-deep-learning-optimizers

Collection of the latest, greatest, deep learning optimizers (for Pytorch) - CNN, NLP suitable

bgnn

bigan

code for "Adversarial Feature Learning"

boolformer

boost-1.65.1

ruby brew file

boostedfactorization

An implementation of "L-EnsNMF: Boosted Local Topic Discovery via Ensemble of Nonnegative Matrix Factorization" (ICDM 2016).