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
This is a JAX implementation of Neural Radiance Fields for learning purposes.

learn-nerf This is a JAX implementation of Neural Radiance Fields for learning purposes. I've been curious about NeRF and its follow-up work for a whi

Alex Nichol 62 Dec 20, 2022
Unsupervised phone and word segmentation using dynamic programming on self-supervised VQ features.

Unsupervised Phone and Word Segmentation using Vector-Quantized Neural Networks Overview Unsupervised phone and word segmentation on speech data is pe

Herman Kamper 13 Dec 11, 2022
Code for SALT: Stackelberg Adversarial Regularization, EMNLP 2021.

SALT: Stackelberg Adversarial Regularization Code for Adversarial Regularization as Stackelberg Game: An Unrolled Optimization Approach, EMNLP 2021. R

Simiao Zuo 10 Jan 10, 2022
TransCD: Scene Change Detection via Transformer-based Architecture

TransCD: Scene Change Detection via Transformer-based Architecture

wangzhixue 29 Dec 11, 2022
This repository contains notebook implementations of the following Neural Process variants: Conditional Neural Processes (CNPs), Neural Processes (NPs), Attentive Neural Processes (ANPs).

The Neural Process Family This repository contains notebook implementations of the following Neural Process variants: Conditional Neural Processes (CN

DeepMind 892 Dec 28, 2022
Model serving at scale

Run inference at scale Cortex is an open source platform for large-scale machine learning inference workloads. Workloads Realtime APIs - respond to pr

Cortex Labs 7.9k Jan 06, 2023
the official implementation of the paper "Isometric Multi-Shape Matching" (CVPR 2021)

Isometric Multi-Shape Matching (IsoMuSh) Paper-CVF | Paper-arXiv | Video | Code Citation If you find our work useful in your research, please consider

Maolin Gao 9 Jul 17, 2022
Pytorch implementation of Generative Models as Distributions of Functions 🌿

Generative Models as Distributions of Functions This repo contains code to reproduce all experiments in Generative Models as Distributions of Function

Emilien Dupont 117 Dec 29, 2022
🏃‍♀️ A curated list about human motion capture, analysis and synthesis.

Awesome Human Motion 🏃‍♀️ A curated list about human motion capture, analysis and synthesis. Contents Introduction Human Models Datasets Data Process

Dennis Wittchen 274 Dec 14, 2022
As-ViT: Auto-scaling Vision Transformers without Training

As-ViT: Auto-scaling Vision Transformers without Training [PDF] Wuyang Chen, Wei Huang, Xianzhi Du, Xiaodan Song, Zhangyang Wang, Denny Zhou In ICLR 2

VITA 68 Sep 05, 2022
Official implementation of the paper 'High-Resolution Photorealistic Image Translation in Real-Time: A Laplacian Pyramid Translation Network' in CVPR 2021

LPTN Paper | Supplementary Material | Poster High-Resolution Photorealistic Image Translation in Real-Time: A Laplacian Pyramid Translation Network Ji

372 Dec 26, 2022
Towards the D-Optimal Online Experiment Design for Recommender Selection (KDD 2021)

Towards the D-Optimal Online Experiment Design for Recommender Selection (KDD 2021) Contact 0 Jan 11, 2022

A New Open-Source Off-road Environment for Benchmark Generalization of Autonomous Driving

A New Open-Source Off-road Environment for Benchmark Generalization of Autonomous Driving Isaac Han, Dong-Hyeok Park, and Kyung-Joong Kim IEEE Access

13 Dec 27, 2022
Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable.

Diffrax Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. Diffrax is a JAX-based library providing numerical differe

Patrick Kidger 717 Jan 09, 2023
Federated Learning Based on Dynamic Regularization

Federated Learning Based on Dynamic Regularization This is implementation of Federated Learning Based on Dynamic Regularization. Requirements Please i

39 Jan 07, 2023
JupyterNotebook - C/C++, Javascript, HTML, LaTex, Shell scripts in Jupyter Notebook Also run them on remote computer

JupyterNotebook Read, write and execute C, C++, Javascript, Shell scripts, HTML, LaTex in jupyter notebook, And also execute them on remote computer R

1 Jan 09, 2022
Self-Adaptable Point Processes with Nonparametric Time Decays

NPPDecay This is our implementation for the paper Self-Adaptable Point Processes with Nonparametric Time Decays, by Zhimeng Pan, Zheng Wang, Jeff M. P

zpan 2 Sep 24, 2022
The code for our NeurIPS 2021 paper "Kernelized Heterogeneous Risk Minimization".

Kernelized-HRM Jiashuo Liu, Zheyuan Hu The code for our NeurIPS 2021 paper "Kernelized Heterogeneous Risk Minimization"[1]. This repo contains the cod

Liu Jiashuo 8 Nov 20, 2022
Pytorch code for paper "Image Compressed Sensing Using Non-local Neural Network" TMM 2021.

NL-CSNet-Pytorch Pytorch code for paper "Image Compressed Sensing Using Non-local Neural Network" TMM 2021. Note: this repo only shows the strategy of

WenxueCui 7 Nov 07, 2022
GAN-generated image detection based on CNNs

GAN-image-detection This repository contains a GAN-generated image detector developed to distinguish real images from synthetic ones. The detector is

Image and Sound Processing Lab 17 Dec 15, 2022