Python Jupyter Notebooks to reproduce the results in our paper, "Applying machine learning techniques to predict the properties of energetic materials"
☆23Apr 7, 2021Updated 5 years ago
Alternatives and similar repositories for Machine-Learning-Energetic-Molecules-Notebooks
Users that are interested in Machine-Learning-Energetic-Molecules-Notebooks are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular machine learning toolkit☆28Sep 24, 2021Updated 4 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆11Apr 11, 2021Updated 5 years ago
- Algorithms to analyze and predict molecular structures☆25Jul 4, 2025Updated last year
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Crop Yield Prediction using various ML approaches - Random-Forest Regressor, Gradient-Boosting Regressor, Decision-Tree Regressor, Suppo…☆10Jul 13, 2023Updated 3 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- 庄闪闪的可视化笔记☆17Mar 24, 2026Updated 4 months ago
- A combination of lightweight, high specific strength, and good castability make magnesium alloys a promising engineering material for the…☆13Dec 1, 2020Updated 5 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆13Jan 15, 2021Updated 5 years ago
- Link molecular structures of chemicals (in form of topological fingerprints) with multiple targets☆11Dec 19, 2024Updated last year
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated last year
- A collection of molecular optimisers and property calculators for use with stk.☆24May 18, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Tutorials as used in the user meetings. (Please assign a git tag for the revision used for the UM)☆13May 20, 2025Updated last year
- Repo for Machine Learning Models for Renewable Energy Forecasting Research Paper (DOI: 10.1080/09720510.2020.1721636)☆14Jan 9, 2021Updated 5 years ago
- High-throughput framework for running molecular simulations for METL☆22Sep 18, 2025Updated 10 months ago
- ☆12Dec 10, 2018Updated 7 years ago
- How would you predict the compressive strength of concrete as a function of its constituent materials and curing time? In this portfolio …☆13Nov 27, 2020Updated 5 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- This repository will house information and code examples of pulling thermodynamic data from metal alloy systems from the NIST alloy data …☆12Jun 2, 2022Updated 4 years ago
- 个人开发工具库☆17Apr 30, 2022Updated 4 years ago
- Colorizing images using an adversarial network approach.☆11Sep 19, 2017Updated 8 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Jul 25, 2025Updated 11 months ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 6 years ago
- 一种基于极限学习机的超宽带空间定位算法☆13Dec 25, 2021Updated 4 years ago
- J. Zhang and J. Wang, "Improved Whale Optimization Algorithm Based on Nonlinear Adaptive Weight and Golden Sine Operator", IEEE Access, v…☆13Sep 23, 2021Updated 4 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- Predicting Algae's age using different attributes and Machine Learning Algorithms for Regression Analysis.☆10Apr 20, 2019Updated 7 years ago
- This project aims to design, develop and implement the training model by using different inputs data. The machine will able to learn the …☆13Sep 22, 2020Updated 5 years ago
- This is the code corresponding to my blog post "Generative Adversarial Networks (GANs) for Beginners: Generating Images of Distracted Dri…☆11Feb 5, 2019Updated 7 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆17Nov 16, 2018Updated 7 years ago
- ☆28Apr 14, 2024Updated 2 years ago
- Collection of machine learning models for predicting toxicity of molecules☆12May 6, 2020Updated 6 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- SVR optimazation by WOA☆11Aug 19, 2021Updated 4 years ago
- DramKit是一个Python工具库,其目标是提升日常工作效率。dramkit is a toolbox, its name comes from Doraemon's Pocket.☆15May 21, 2023Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated 2 months ago