Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]

Overview

Knowledge-enhanced Contrastive Learning (KCL)

license arxiv badge

Molecular Contrastive Learning with Chemical Element Knowledge Graph [ AAAI 2022 ].

We construct a Chemical Element Knowledge Graph (KG) to summarize microscopic associations between elements and propose a novel Knowledge-enhanced Contrastive Learning (KCL) framework for molecular representation learning.

Model Architecture

Model_architecture


Result

Main Result

To-do List

  • Usage
  • Requirements
  • Data
  • Pretrained Model
  • Parameter
  • Running
  • Acknowledgements
  • Cite
Owner
Fangyin
Fangyin
Numerai tournament example scripts using NN and optuna

numerai_NN_example Numerai tournament example scripts using pytorch NN, lightGBM and optuna https://numer.ai/tournament Performance of my model based

Takahiro Maeda 12 Oct 10, 2022
SPRING is a seq2seq model for Text-to-AMR and AMR-to-Text (AAAI2021).

SPRING This is the repo for SPRING (Symmetric ParsIng aNd Generation), a novel approach to semantic parsing and generation, presented at AAAI 2021. Wi

Sapienza NLP group 98 Dec 21, 2022
Multi-Task Deep Neural Networks for Natural Language Understanding

New Release We released Adversarial training for both LM pre-training/finetuning and f-divergence. Large-scale Adversarial training for LMs: ALUM code

Xiaodong 2.1k Dec 30, 2022
Python module providing a framework to trace individual edges in an image using Gaussian process regression.

Edge Tracing using Gaussian Process Regression Repository storing python module which implements a framework to trace individual edges in an image usi

Jamie Burke 7 Dec 27, 2022
Code for "MetaMorph: Learning Universal Controllers with Transformers", Gupta et al, ICLR 2022

MetaMorph: Learning Universal Controllers with Transformers This is the code for the paper MetaMorph: Learning Universal Controllers with Transformers

Agrim Gupta 50 Jan 03, 2023
A forwarding MPI implementation that can use any other MPI implementation via an MPI ABI

MPItrampoline MPI wrapper library: MPI trampoline library: MPI integration tests: MPI is the de-facto standard for inter-node communication on HPC sys

Erik Schnetter 31 Dec 22, 2022
Code for ICCV 2021 paper Graph-to-3D: End-to-End Generation and Manipulation of 3D Scenes using Scene Graphs

Graph-to-3D This is the official implementation of the paper Graph-to-3d: End-to-End Generation and Manipulation of 3D Scenes Using Scene Graphs | arx

Helisa Dhamo 33 Jan 06, 2023
MolRep: A Deep Representation Learning Library for Molecular Property Prediction

MolRep: A Deep Representation Learning Library for Molecular Property Prediction Summary MolRep is a Python package for fairly measuring algorithmic p

AI-Health @NSCC-gz 83 Dec 24, 2022
PuppetGAN - Cross-Domain Feature Disentanglement and Manipulation just got way better! 🚀

Better Cross-Domain Feature Disentanglement and Manipulation with Improved PuppetGAN Quite cool... Right? Introduction This repo contains a TensorFlow

Giorgos Karantonis 5 Aug 25, 2022
NICE-GAN — Official PyTorch Implementation Reusing Discriminators for Encoding: Towards Unsupervised Image-to-Image Translation

NICE-GAN-pytorch - Official PyTorch implementation of NICE-GAN: Reusing Discriminators for Encoding: Towards Unsupervised Image-to-Image Translation

Runfa Chen 208 Nov 25, 2022
Official pytorch implementation of the AAAI 2021 paper Semantic Grouping Network for Video Captioning

Semantic Grouping Network for Video Captioning Hobin Ryu, Sunghun Kang, Haeyong Kang, and Chang D. Yoo. AAAI 2021. [arxiv] Environment Ubuntu 16.04 CU

Hobin Ryu 43 Nov 25, 2022
Cryptocurrency Prediction with Artificial Intelligence (Deep Learning via LSTM Neural Networks)

Cryptocurrency Prediction with Artificial Intelligence (Deep Learning via LSTM Neural Networks)- Emirhan BULUT

Emirhan BULUT 102 Nov 18, 2022
Loopy belief propagation for factor graphs on discrete variables, in JAX!

PGMax implements general factor graphs for discrete probabilistic graphical models (PGMs), and hardware-accelerated differentiable loopy belief propagation (LBP) in JAX.

Vicarious 62 Dec 23, 2022
A web porting for NVlabs' StyleGAN2, to facilitate exploring all kinds characteristic of StyleGAN networks

This project is a web porting for NVlabs' StyleGAN2, to facilitate exploring all kinds characteristic of StyleGAN networks. Thanks for NVlabs' excelle

K.L. 150 Dec 15, 2022
Gender Classification Machine Learning Model using Sk-learn in Python with 97%+ accuracy and deployment

Gender-classification This is a ML model to classify Male and Females using some physical characterstics Data. Python Libraries like Pandas,Numpy and

Aryan raj 11 Oct 16, 2022
How to train a CNN to 99% accuracy on MNIST in less than a second on a laptop

Training a NN to 99% accuracy on MNIST in 0.76 seconds A quick study on how fast you can reach 99% accuracy on MNIST with a single laptop. Our answer

Tuomas Oikarinen 42 Dec 10, 2022
NeWT: Natural World Tasks

NeWT: Natural World Tasks This repository contains resources for working with the NeWT dataset. ❗ At this time the binary tasks are not publicly avail

Visipedia 26 Oct 18, 2022
SpineAI Bilsky Grading With Python

SpineAI-Bilsky-Grading SpineAI Paper with Code 📫 Contact Address correspondence to J.T.P.D.H. (e-mail: james_hallinan AT nuhs.edu.sg) Disclaimer This

<a href=[email protected]"> 2 Dec 16, 2021
A curated list of awesome deep long-tailed learning resources.

A curated list of awesome deep long-tailed learning resources.

vanint 210 Dec 25, 2022
Delving into Localization Errors for Monocular 3D Object Detection, CVPR'2021

Delving into Localization Errors for Monocular 3D Detection By Xinzhu Ma, Yinmin Zhang, Dan Xu, Dongzhan Zhou, Shuai Yi, Haojie Li, Wanli Ouyang. Intr

XINZHU.MA 124 Jan 04, 2023