A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
☆17Jul 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 11 months ago
- 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 3 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆14Sep 27, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Solv@TUM - The Solvation Free Energy Database☆13Mar 31, 2024Updated 2 years ago
- ☆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 3 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)☆42Feb 10, 2026Updated 4 months ago
- WanTiBEXOS code repository☆17Jun 6, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆27Jan 26, 2021Updated 5 years ago
- 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 week
- 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.☆18Updated this week
- 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 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆16Mar 20, 2023Updated 3 years ago
- A foundational potential energy dataset for materials☆57Jun 3, 2026Updated last week
- 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☆20Apr 9, 2026Updated 2 months ago
- OMNI-P2x: A universal neural network potential for excited states☆14Mar 19, 2026Updated 2 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
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years ago
- FoKL-GP implements Karhunen-Loève decomposed Gaussian processes with built-in forward variable selection. Decomposed GPs are key to embed…☆18May 19, 2026Updated 3 weeks ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago