n2p2 - A Neural Network Potential Package
☆243Mar 17, 2025Updated last year
Alternatives and similar repositories for n2p2
Users that are interested in n2p2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆393May 12, 2026Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.☆354Feb 6, 2026Updated 3 months ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆464Apr 18, 2026Updated last month
- Software for generating machine-learning interatomic potentials for LAMMPS☆186Oct 17, 2025Updated 7 months ago
- A... M... L...☆53Feb 18, 2022Updated 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.
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago
- Atomic interaction potentials based on artificial neural networks☆128Apr 16, 2026Updated last month
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆113Feb 22, 2022Updated 4 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆456May 13, 2026Updated last week
- SchNetPack - Deep Neural Networks for Atomistic Systems☆919May 12, 2026Updated last week
- sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model☆167Jun 13, 2025Updated 11 months ago
- A deep learning package for many-body potential energy representation and molecular dynamics☆1,927May 14, 2026Updated last week
- i-PI: a universal force engine☆298May 13, 2026Updated last week
- NequIP is a code for building E(3)-equivariant interatomic potentials☆910May 12, 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.
- TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentia…☆543Updated this week
- Code for training PhysNet models☆116Oct 16, 2022Updated 3 years ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,183May 10, 2026Updated last week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- A Python library for building atomic neural networks☆126Mar 26, 2026Updated last month
- Implementation of a machine learned density functional☆37Jun 17, 2024Updated last year
- Graphics Processing Units Molecular Dynamics☆771Updated this week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 2 years ago
- A grain boundary generation code☆87Sep 12, 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.
- Machine Learning Interatomic Potential Predictions☆93Feb 15, 2024Updated 2 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆386May 12, 2026Updated last week
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Apr 10, 2026Updated last month
- Python library written in C++ for calculation of local atomic structural environment☆69Apr 30, 2026Updated 2 weeks ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆154Jun 27, 2024Updated last year
- “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti…☆33Jun 14, 2020Updated 5 years ago
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆61Jul 16, 2023Updated 2 years ago
- ☆43Dec 29, 2023Updated 2 years ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆245May 5, 2026Updated 2 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Quantum chemistry and solid state physics software package☆1,106Updated this week
- Automation of VASP DFT workflows with ASE - application scripts☆22May 24, 2023Updated 2 years ago
- Public development project of the LAMMPS MD software package☆2,893Updated this week
- high dimensional neural network potential☆23Dec 8, 2022Updated 3 years ago
- FLAME: a library for atomistic modeling environments☆26Feb 21, 2025Updated last year
- ANI-1 neural net potential with python interface (ASE)☆228Mar 11, 2024Updated 2 years ago
- Tensorflow + Molecules = TensorMol☆276Feb 11, 2021Updated 5 years ago