This is the repository of shape matching algorithm Iterative Rotations and Assignments (IRA)

Related tags

Deep LearningIterativeRotationsAssignments
Overview

Description

This is the repository of shape matching algorithm Iterative Rotations and Assignments (IRA), described in the publication [1].

Directory contents

/IRA: Contains the IRA software, see also the README in /IRA.

/benchmark_test: Contains data and other software used for benchmark tests from [1]. See also the README in /benchmark_test folder.

Compile and run

To run IRA, you need to compile it. See README in /IRA subdirectory.

References

[1] Gunde M., Salles N., Hemeryck A., Martin Samos L. IRA: A shape matching approach for recognition and comparison of generic atomic patterns, Journal of Chemical Information and Modeling (2021), DOI: https://doi.org/10.1021/acs.jcim.1c00567, HAL: hal-03406717, arXiv: 2111.00939

You might also like...
Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch
Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch

Perceiver - Pytorch Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch Install $ pip install perceiver-pytorch Usage

Phil Wang 876 Dec 29, 2022
Official Implementation for
Official Implementation for "ReStyle: A Residual-Based StyleGAN Encoder via Iterative Refinement" https://arxiv.org/abs/2104.02699

ReStyle: A Residual-Based StyleGAN Encoder via Iterative Refinement Recently, the power of unconditional image synthesis has significantly advanced th

null 967 Jan 4, 2023
Implementation of Perceiver, General Perception with Iterative Attention in TensorFlow
Implementation of Perceiver, General Perception with Iterative Attention in TensorFlow

Perceiver This Python package implements Perceiver: General Perception with Iterative Attention by Andrew Jaegle in TensorFlow. This model builds on t

Rishit Dagli 84 Oct 15, 2022
PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis
PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis

WaveGrad2 - PyTorch Implementation PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis. Status (202

Keon Lee 59 Dec 6, 2022
Pytorch implementation of “Recursive Non-Autoregressive Graph-to-Graph Transformer for Dependency Parsing with Iterative Refinement”

Graph-to-Graph Transformers Self-attention models, such as Transformer, have been hugely successful in a wide range of natural language processing (NL

Idiap Research Institute 40 Aug 14, 2022
StackRec: Efficient Training of Very Deep Sequential Recommender Models by Iterative Stacking

StackRec: Efficient Training of Very Deep Sequential Recommender Models by Iterative Stacking Datasets You can download datasets that have been pre-pr

null 25 May 29, 2022
Code for PackNet: Adding Multiple Tasks to a Single Network by Iterative Pruning

PackNet: https://arxiv.org/abs/1711.05769 Pretrained models are available here: https://uofi.box.com/s/zap2p03tnst9dfisad4u0sfupc0y1fxt Datasets in Py

Arun Mallya 216 Jan 5, 2023
[CVPR 2021] Official PyTorch Implementation for
[CVPR 2021] Official PyTorch Implementation for "Iterative Filter Adaptive Network for Single Image Defocus Deblurring"

IFAN: Iterative Filter Adaptive Network for Single Image Defocus Deblurring Checkout for the demo (GUI/Google Colab)! The GUI version might occasional

Junyong Lee 173 Dec 30, 2022
Unoffical implementation about Image Super-Resolution via Iterative Refinement by Pytorch
Unoffical implementation about Image Super-Resolution via Iterative Refinement by Pytorch

Image Super-Resolution via Iterative Refinement Paper | Project Brief This is a unoffical implementation about Image Super-Resolution via Iterative Re

LiangWei Jiang 2.5k Jan 2, 2023
Comments
  • ira_eq.x doesn't work.

    ira_eq.x doesn't work.

    Hi , @mgoonde .

    I am a student working on a project of Off-lattice Kinetic Monte Carlo. I found your paper and source code with excitement. As you mentioned in the paper(IRA: A shape matching approach for recognition and comparison of generic atomic patterns), in self-Learning KMC, atomic assignment is unknown amd number of atoms unset. Traditional optimal method like SVD and assignment method like Hungarian algorithm cannot work on my system. So I downloaded your code and tried.

    However, there was something wrong after I combined two .xyz system and executed ira_eq.x.

    First, variable hd_fin not defined. To be honest, I don't know what it means. So i changed hd_out = hd_fin to hd_out = hd image

    Second, the way you permute the coordinates is not recognized by my machine, it goes image , whenerver there is a permutation operation. So I changed it from coords1(:,:) = coords1(:,nint(d_o(2,:))) to do i = 1, nat1 coords1(:,i) = coords1_tmp(:,nint(d_o(2,i))) end do So does the array typ1/typ2/coords2

    After doing these rescue measures, I ran your example ./ira_eq.x < temp_ira. temp_ira is combined from benchmark_test/data/lj_clusters/xyz/47.xyz, same structure file in run_single.sh, and the randomized one. The two xyz structures didn't found scattered using ovito. The result goes infinity.

    I don't know what is wrong and I am not that farmiliar with fortran. So I appreciate your help about it. Best wishes.

    opened by FanMover 1
Releases(IRA_v1.5.0)

  • IRA_v1.5.0(May 12, 2022)

    The second release of IRA code. Improvements are made on performance (speed), and in the unification of routines dealing with equal and nonequal number of atoms. An interface to python is also added. For complete list of changes see the version_history file.

    Source code(tar.gz)
    Source code(zip)

  • v1.0.0(Nov 18, 2021)

Owner
MAMMASMIAS Consortium
Multiscale And Multi Model ApproacheS for Materials In Applied Science Consortium
MAMMASMIAS Consortium
GitHub Repository
Task-related Saliency Network For Few-shot learning

Task-related Saliency Network For Few-shot learning This is an official implementation in Tensorflow of TRSN. Abstract An essential cue of human wisdo

1 Nov 18, 2021
Learning What and Where to Draw

###Learning What and Where to Draw Scott Reed, Zeynep Akata, Santosh Mohan, Samuel Tenka, Bernt Schiele, Honglak Lee This is the code for our NIPS 201

Scott Ellison Reed 337 Nov 18, 2022
FastFace: Lightweight Face Detection Framework

Light Face Detection using PyTorch Lightning

Ömer BORHAN 75 Dec 05, 2022
Project of 'TBEFN: A Two-branch Exposure-fusion Network for Low-light Image Enhancement '

TBEFN: A Two-branch Exposure-fusion Network for Low-light Image Enhancement Codes for TMM20 paper "TBEFN: A Two-branch Exposure-fusion Network for Low

KUN LU 31 Nov 06, 2022
Principled Detection of Out-of-Distribution Examples in Neural Networks

ODIN: Out-of-Distribution Detector for Neural Networks This is a PyTorch implementation for detecting out-of-distribution examples in neural networks.

189 Nov 29, 2022
Learn about Spice.ai with in-depth samples

Samples Learn about Spice.ai with in-depth samples ServerOps - Learn when to run server maintainance during periods of low load Gardener - Intelligent

Spice.ai 16 Mar 23, 2022
Gym environments used in the paper: "Developmental Reinforcement Learning of Control Policy of a Quadcopter UAV with Thrust Vectoring Rotors"

gym_multirotor Gym to train reinforcement learning agents on UAV platforms Quadrotor Tiltrotor Requirements This package has been tested on Ubuntu 18.

Aditya M. Deshpande 19 Dec 29, 2022
PyContinual (An Easy and Extendible Framework for Continual Learning)

PyContinual (An Easy and Extendible Framework for Continual Learning) Easy to Use You can sumply change the baseline, backbone and task, and then read

176 Jan 05, 2023
Implementation of "The Power of Scale for Parameter-Efficient Prompt Tuning"

Prompt-Tuning Implementation of "The Power of Scale for Parameter-Efficient Prompt Tuning" Currently, we support the following huggigface models: Bart

Andrew Zeng 36 Dec 19, 2022
An implementation demo of the ICLR 2021 paper Neural Attention Distillation: Erasing Backdoor Triggers from Deep Neural Networks in PyTorch.

Neural Attention Distillation This is an implementation demo of the ICLR 2021 paper Neural Attention Distillation: Erasing Backdoor Triggers from Deep

Yige-Li 84 Jan 04, 2023
Posterior predictive distributions quantify uncertainties ignored by point estimates.

Posterior predictive distributions quantify uncertainties ignored by point estimates.

DeepMind 177 Dec 06, 2022
LSSY量化交易系统

LSSY量化交易系统 该项目是本人3年来研究量化慢慢积累开发的一套系统，属于早期作品慢慢修改而来，仅供学习研究，回测分析，实盘交易部分未公开

55 Oct 04, 2022
Official implementation of Neural Bellman-Ford Networks (NeurIPS 2021)

NBFNet: Neural Bellman-Ford Networks This is the official codebase of the paper Neural Bellman-Ford Networks: A General Graph Neural Network Framework

MilaGraph 136 Dec 21, 2022
Official Pytorch implementation for "End2End Occluded Face Recognition by Masking Corrupted Features, TPAMI 2021"

End2End Occluded Face Recognition by Masking Corrupted Features This is the Pytorch implementation of our TPAMI 2021 paper End2End Occluded Face Recog

Haibo Qiu 25 Oct 31, 2022
Axel - 3D printed robotic hands and they controll with Raspberry Pi and Arduino combo

Axel It's our graduation project about 3D printed robotic hands and they control

0 Feb 14, 2022
Download files from DSpace systems (because for some reason DSpace won't let you)

DSpaceDL A tool for downloading files from DSpace items. For some reason, DSpace systems have a dogshit UI, and Universities absolutely LOOOVE to use

Soumitra Shewale 5 Dec 01, 2022
An AFL implementation with UnTracer (our coverage-guided tracer)

UnTracer-AFL This repository contains an implementation of our prototype coverage-guided tracing framework UnTracer in the popular coverage-guided fuz

113 Dec 17, 2022
Pytorch implementation for the paper: Contrastive Learning for Cold-start Recommendation

Contrastive Learning for Cold-start Recommendation This is our Pytorch implementation for the paper: Yinwei Wei, Xiang Wang, Qi Li, Liqiang Nie, Yan L

45 Dec 13, 2022
A Self-Supervised Contrastive Learning Framework for Aspect Detection

AspDecSSCL A Self-Supervised Contrastive Learning Framework for Aspect Detection This repository is a pytorch implementation for the following AAAI'21

Tian Shi 30 Dec 28, 2022
Source code for ZePHyR: Zero-shot Pose Hypothesis Rating @ ICRA 2021

ZePHyR: Zero-shot Pose Hypothesis Rating ZePHyR is a zero-shot 6D object pose estimation pipeline. The core is a learned scoring function that compare

R-Pad - Robots Perceiving and Doing 18 Aug 22, 2022