A chemical analysis of lipophilicities & molecule drawings including ML

Related tags

Deep LearningChemical-analysis
Overview

A chemical analysis of lipophilicity & molecule drawings including a bit of ML analysis.


license twitter

This is a simple project that includes two Jupyter files (one about lipophilicity & the other about drawing structures) with a few data files like this. An analysis of lipophilicity & molecule drawings are shown through simple chemistry projects that looks at lipophilicity of drug molecules through ML and molecule drawings through RDKit.

Project of a chemical analysis implementing machine learning is almost finished.

Public

The folder includes logo while additional files removed through to save space.

License

LICENSE

Owner
Aurimas A. Nausėdas
Developer, Data Engineer, and a graduate of The University of Edinburgh. Passionate about creating things.
Aurimas A. Nausėdas
GitHub Repository
UV matrix decompostion using movielens dataset

UV-matrix-decompostion-with-kfold UV matrix decompostion using movielens dataset upload the 'ratings.dat' file install the following python libraries

2 Oct 18, 2022
Attentive Implicit Representation Networks (AIR-Nets)

Attentive Implicit Representation Networks (AIR-Nets) Preprint | Supplementary | Accepted at the International Conference on 3D Vision (3DV) teaser.mo

29 Dec 07, 2022
Code for "The Intrinsic Dimension of Images and Its Impact on Learning" - ICLR 2021 Spotlight

dimensions Estimating the instrinsic dimensionality of image datasets Code for: The Intrinsic Dimensionaity of Images and Its Impact On Learning - Phi

Phil Pope 41 Dec 10, 2022
For holding anime-related object classification and detection models

Animesion An end-to-end framework for anime-related object classification, detection, segmentation, and other models. Update: 01/22/2020. Due to time-

Edwin Arkel Rios 72 Nov 30, 2022
Fog Simulation on Real LiDAR Point Clouds for 3D Object Detection in Adverse Weather

LiDAR fog simulation Created by Martin Hahner at the Computer Vision Lab of ETH Zurich. This is the official code release of the paper Fog Simulation

Martin Hahner 110 Dec 30, 2022
FluidNet re-written with ATen tensor lib

fluidnet_cxx: Accelerating Fluid Simulation with Convolutional Neural Networks. A PyTorch/ATen Implementation. This repository is based on the paper,

JoliBrain 50 Jun 07, 2022
This project hosts the code for implementing the ISAL algorithm for object detection and image classification

Influence Selection for Active Learning (ISAL) This project hosts the code for implementing the ISAL algorithm for object detection and image classifi

25 Sep 11, 2022
Qcover is an open source effort to help exploring combinatorial optimization problems in Noisy Intermediate-scale Quantum(NISQ) processor.

Qcover is an open source effort to help exploring combinatorial optimization problems in Noisy Intermediate-scale Quantum(NISQ) processor. It is devel

33 Nov 11, 2022
Official PyTorch implementation of "ArtFlow: Unbiased Image Style Transfer via Reversible Neural Flows"

ArtFlow Official PyTorch implementation of the paper: ArtFlow: Unbiased Image Style Transfer via Reversible Neural Flows Jie An*, Siyu Huang*, Yibing

123 Dec 27, 2022
Implementation for our AAAI2021 paper (Entity Structure Within and Throughout: Modeling Mention Dependencies for Document-Level Relation Extraction).

SSAN Introduction This is the pytorch implementation of the SSAN model (see our AAAI2021 paper: Entity Structure Within and Throughout: Modeling Menti

benfeng 69 Nov 15, 2022
Learning View Priors for Single-view 3D Reconstruction (CVPR 2019)

Learning View Priors for Single-view 3D Reconstruction (CVPR 2019) This is code for a paper Learning View Priors for Single-view 3D Reconstruction by

Hiroharu Kato 38 Aug 17, 2022
Performant, differentiable reinforcement learning

deluca Performant, differentiable reinforcement learning Notes This is pre-alpha software and is undergoing a number of core changes. Updates to follo

Google 114 Dec 27, 2022
Code of paper "Compositionally Generalizable 3D Structure Prediction"

Compositionally Generalizable 3D Structure Prediction In this work, We bring in the concept of compositional generalizability and factorizes the 3D sh

Songfang Han 30 Dec 17, 2022
Learning from graph data using Keras

Steps to run = Download the cora dataset from this link : https://linqs.soe.ucsc.edu/data unzip the files in the folder input/cora cd code python eda

Mansar Youness 64 Nov 16, 2022
[ICCV2021] 3DVG-Transformer: Relation Modeling for Visual Grounding on Point Clouds

3DVG-Transformer This repository is for the ICCV 2021 paper "3DVG-Transformer: Relation Modeling for Visual Grounding on Point Clouds" Our method "3DV

22 Dec 11, 2022
Translation-equivariant Image Quantizer for Bi-directional Image-Text Generation

Translation-equivariant Image Quantizer for Bi-directional Image-Text Generation Woncheol Shin1, Gyubok Lee1, Jiyoung Lee1, Joonseok Lee2,3, Edward Ch

Woncheol Shin 7 Sep 26, 2022
Video Instance Segmentation using Inter-Frame Communication Transformers (NeurIPS 2021)

Video Instance Segmentation using Inter-Frame Communication Transformers (NeurIPS 2021) Paper Video Instance Segmentation using Inter-Frame Communicat

Sukjun Hwang 81 Dec 29, 2022
Azion the best solution of Edge Computing in the world.

Azion Edge Function docker action Create or update an Edge Functions on Azion Edge Nodes. The domain name is the key for decision to a create or updat

8 Jul 16, 2022
CCPD: a diverse and well-annotated dataset for license plate detection and recognition

CCPD (Chinese City Parking Dataset, ECCV) UPdate on 10/03/2019. CCPD Dataset is now updated. We are confident that images in subsets of CCPD is much m

detectRecog 1.8k Dec 30, 2022
Pynomial - a lightweight python library for implementing the many confidence intervals for the risk parameter of a binomial model

Pynomial - a lightweight python library for implementing the many confidence intervals for the risk parameter of a binomial model

Demetri Pananos 9 Oct 04, 2022