☆15Feb 19, 2025Updated last year
Alternatives and similar repositories for LDHP-builder
Users that are interested in LDHP-builder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interface for simulations and standalone Python script generation with universal machine-learning interatomic potentials (MACE, CHGNet, S…☆45Oct 2, 2026Updated last week
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- Hamster.jl is a powerful Julia package to fit and run calculations with effective Hamiltonians to compute temperature-dependent optoelect…☆16Updated this week
- Machine Learned Interatomic Potential Tools☆25Updated this week
- Machine-learning-driven VASP interface using MACE potentials☆52Sep 26, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Helpers for working with pymatgen structure graphs.☆11Feb 4, 2025Updated last year
- Generator of polynomial machine learning potentials☆22Updated this week
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- SimplySQS: An interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQSs) using ATAT …☆22Updated this week
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 7 months ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 11 months ago
- ☆10Sep 26, 2025Updated last year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 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.
- ☆14Oct 2, 2024Updated 2 years ago
- Zero Shot Molecular Generation via Similarity Kernels☆31Aug 30, 2026Updated last month
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 2 months ago
- A Python program for calculating the surface SHG yield for semiconductors.☆21Sep 15, 2025Updated last year
- ☆13Apr 12, 2023Updated 3 years ago
- ☆15Sep 4, 2023Updated 3 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆43Sep 16, 2026Updated 3 weeks 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.
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16Aug 31, 2026Updated last month
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated 11 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26Sep 1, 2026Updated last month
- a python library for cheminformatics and machine learning☆17Apr 27, 2026Updated 5 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆13Jun 22, 2023Updated 3 years ago
- Generate symmetrized force constants☆30Updated this week
- Python package for detecting spin space group on top of spglib☆25Sep 29, 2026Updated last week
- Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)☆20Sep 10, 2017Updated 9 years ago
- High-throughput simulation for crystalline interfaces☆22Sep 25, 2026Updated 2 weeks ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated last year
- ☆16Jan 22, 2026Updated 8 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆52Updated this week
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- Building MD simulations for polymer electrolyte system☆15Oct 6, 2025Updated last year
- Flarum WeChat Login extension☆14Oct 19, 2023Updated 2 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆19Apr 13, 2026Updated 5 months ago