shunsunsun Goto Github PK

2013-siims-gaussian-textures

G-S. Xia, S. Ferradans, G. Peyré, J-F. Aujol. Synthesizing and Mixing Stationary Gaussian Texture Models. SIAM Journal on Imaging Sciences, 7(1), pp. 476–508, 2014.

2014-sisc-bregmanot

J-D. Benamou, G. Carlier, M. Cuturi, L. Nenna, G. Peyré. Iterative Bregman Projections for Regularized Transportation Problems. SIAM Journal on Scientific Computing, 37(2), pp. A1111–A1138, 2015.

2015-siggraph-convolutional-ot

J. Solomon, F. de Goes, G. Peyré, M. Cuturi, A. Butscher, A. Nguyen, T. Du, L. Guibas. Convolutional Wasserstein Distances: Efficient Optimal Transportation on Geometric Domains. ACM Transactions on Graphics (Proc. SIGGRAPH 2015), 34(4), pp. 66:1–66:11, 2015

2015-siims-wasserstein-jko

Gabriel Peyré. Entropic Approximation of Wasserstein Gradient Flows. SIAM Journal on Imaging Sciences, 8(4), pp. 2323–2351, 2015

2016-icml-gromov-wasserstein

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

2023_rl_capsid_design

2d-pharmacophore-search

simple rdkit script

3d-point-clouds-autocomplete

The official implementation of the "HyperPocket: Generative Point Cloud Completion" paper in PyTorch

3d-transformer

3dinfomax

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

a-case-of-the-intelligent-bearing-fault-diagnosis

This is a case of bearing fault intelligent diagnosis. The program is written in MATLAB. The main techniques used are feature detection and neural network. This code comes from the undergraduate course assignment. The code has been written for 8 years. Because many students need such a simple case study, so it was sent out

a-tour-of-pytorch-optimizers

A tour of different optimization algorithms in PyTorch.

abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

abinit

Qsnake's ABINIT package

accelerate

🚀 A simple way to train and use PyTorch models with multi-GPU, TPU, mixed-precision

act-plus-plus

Imitation Learning algorithms with Co-traing for Mobile ALOHA: ACT, Diffusion Policy, VINN

active_learning_peptides

Prospective application of active machine learning to predict antimicrobial peptides

activepapers-python

Python edition of ActivePapers

adanet

Fast and flexible AutoML with learning guarantees.

adaptive-graph-diffusion-networks

afgrl

The official source code for "Augmentation-Free Self-Supervised Learning on Graphs"

agentvillage

⛏ An village with many Agent Villagers.

agmi

ai-physics-drugdiscovery

my own studied materials and scripts

ai2bmd

AI-powered ab initio biomolecular dynamics simulation

ai4sci-micam

This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu. ICLR 2023.

aicrystallographer

Here, we will upload our deep/machine learning models and 'workflows' (such as AtomNet, DefectNet, SymmetryNet, etc) that aid in automated analysis of atomically resolved images

ailearning

AiLearning：数据分析+机器学习实战+线性代数+PyTorch+NLTK+TF2

aimee

aimnetnse

AIMNet-NSE model