A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
☆16Jul 12, 2024Updated last year
Alternatives and similar repositories for drxnet
Users that are interested in drxnet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Jul 2, 2025Updated last year
- Repository for the paper "Bayesian Model Selection of Lithium-Ion Battery Models via Bayesian Quadrature"☆14Apr 3, 2024Updated 2 years ago
- ☆23Mar 18, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 4 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆14Sep 27, 2024Updated last year
- 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.
- ☆15Apr 8, 2023Updated 3 years ago
- Porosity analysis tool☆19Oct 22, 2021Updated 4 years ago
- Agentic framework combining the power of LLMs with domain-specific tools for materials science, enabling property extraction, simulations…☆18May 1, 2025Updated last year
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆19Feb 23, 2026Updated 4 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- ☆26Nov 12, 2023Updated 2 years ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆43Feb 10, 2026Updated 4 months ago
- WanTiBEXOS code repository☆18Jun 6, 2026Updated 3 weeks ago
- ☆27Jan 26, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- ☆62May 9, 2026Updated last month
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 2 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆62Jun 4, 2026Updated last month
- Machine Learning Introduction for a Material Scientist☆20Aug 23, 2021Updated 4 years ago
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆18Jun 8, 2026Updated 3 weeks ago
- dlePy☆10Dec 25, 2021Updated 4 years ago
- A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning☆36Nov 2, 2025Updated 8 months ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆16Mar 20, 2023Updated 3 years 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.
- A foundational potential energy dataset for materials☆57Jun 17, 2026Updated 2 weeks ago
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated last year
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆20Jun 15, 2026Updated 2 weeks ago
- OMNI-P2x: A universal neural network potential for excited states☆15Mar 19, 2026Updated 3 months ago
- Hierarchical reinforcement learning framework which uses a directed graph to define the hierarchy.☆16Aug 5, 2022Updated 3 years ago
- a pure-python symbolic regression library built on deap☆11Jul 5, 2016Updated 9 years ago
- Hackintosh EFI for Lenovo Yoga 14S 2020 AMD（aka Yoga Slim 7 AMD version）☆15Oct 21, 2023Updated 2 years ago
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years 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.
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- Active Subspace Data Sets☆33May 11, 2017Updated 9 years ago
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 7 months ago
- Generate isosurface from density data☆14May 21, 2026Updated last month
- Statistical Mechanics on Lattices☆98Updated this week
- A tool for finding optimized SQS structures tool written in C++☆72Jun 22, 2026Updated last week