Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
☆24Jul 29, 2024Updated last year
Alternatives and similar repositories for Chem-prop-pred
Users that are interested in Chem-prop-pred are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆21Mar 30, 2022Updated 4 years ago
- Molecular graph deep sets learning for mixture property modeling.☆32Jan 28, 2025Updated last year
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Nov 17, 2023Updated 2 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆32Sep 3, 2024Updated last year
- Machine learning code used in "Quantum Chemistry Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy St…☆12Feb 24, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…☆24Oct 24, 2023Updated 2 years ago
- ☆19Nov 19, 2024Updated last year
- Repository for the paper "Bayesian Model Selection of Lithium-Ion Battery Models via Bayesian Quadrature"☆14Apr 3, 2024Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆47Mar 27, 2025Updated last year
- Batch Multi-Fidelity Bayesian Optimization with Deep Auto-Regressive Networks☆12Nov 3, 2021Updated 4 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 2 years ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- ☆14Jan 9, 2025Updated last year
- Solv@TUM - The Solvation Free Energy Database☆13Mar 31, 2024Updated 2 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.
- ☆15Nov 7, 2022Updated 3 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- ☆29Apr 23, 2026Updated last week
- Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction☆13Aug 31, 2021Updated 4 years ago
- ☆27Sep 15, 2025Updated 7 months ago
- Store your chemical data in a single file!☆12May 7, 2025Updated 11 months ago
- GSoC 2020 project to integrate the RDKit and MongoDb☆16Apr 8, 2024Updated 2 years ago
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆14May 21, 2024Updated last year
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆13Oct 7, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆33Apr 14, 2026Updated 2 weeks ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆157Mar 25, 2026Updated last month
- This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation…☆49Jun 2, 2024Updated last year
- ☆19Apr 29, 2024Updated 2 years ago
- User-friendly Freeware for Determining the Concentration of Electrolyte Components in Lithium-Ion Cells Using Fourier Transform Infrared …☆14Dec 8, 2022Updated 3 years ago
- Solver for pseudo-2D model of Li-ion battery based on Finite difference Method. Incorporation of JAX for the nonlinear solver.☆14Nov 19, 2020Updated 5 years ago
- extract user-requested data from safety data sheets☆30Oct 4, 2023Updated 2 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆26Feb 14, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆23Jan 5, 2026Updated 3 months ago
- BatteryDataExtractor: battery-aware text-mining software embedded with BERT models.☆20Apr 5, 2023Updated 3 years ago
- ☆23May 5, 2023Updated 2 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 2024Updated last year
- ☆23Dec 10, 2024Updated last year
- ☆10Aug 21, 2020Updated 5 years ago
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year