☆17Jan 2, 2021Updated 5 years ago
Alternatives and similar repositories for MLP-highP-H
Users that are interested in MLP-highP-H are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenMM plugin to define forces with neural networks☆31Jan 9, 2020Updated 6 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- A 22.9 million carbon atom dataset☆16Mar 7, 2023Updated 3 years ago
- ☆17Mar 24, 2025Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆13Dec 13, 2023Updated 2 years ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆23Mar 21, 2025Updated last year
- variational free-energy of dense hydrogen☆14Sep 25, 2023Updated 2 years ago
- E(n) Equivariant GNN in jax☆14Aug 31, 2023Updated 2 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆30Sep 28, 2020Updated 5 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- ☆14Sep 14, 2025Updated 8 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A... M... L...☆53Feb 18, 2022Updated 4 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15Sep 22, 2025Updated 8 months ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago
- A Python library for building atomic neural networks☆126Mar 26, 2026Updated 2 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 2 years ago
- i-PI: a universal force engine☆299May 18, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆66Apr 19, 2018Updated 8 years ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- Text-based modeling of materials.☆35Mar 12, 2026Updated 2 months ago
- ☆12Sep 9, 2020Updated 5 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 9 months ago
- Ten quick tips to finish that manuscript that's 90% complete.☆13Mar 30, 2022Updated 4 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18May 18, 2026Updated last week
- Using TensorFlow for physics-informed neural networks for scientific machine learning (SciML)☆16Nov 30, 2020Updated 5 years ago
- ☆24Jul 25, 2021Updated 4 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.
- AiiDA tutorials web site☆24Oct 2, 2025Updated 7 months ago
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆36May 18, 2026Updated last week
- Builder for molecular systems☆17Feb 3, 2026Updated 3 months ago
- ☆36Sep 18, 2025Updated 8 months ago
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- A fortran package and library for continuum embedding calculations in materials and molecules☆20Jan 16, 2026Updated 4 months ago
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆61Jul 16, 2023Updated 2 years ago