Awesome Machine Learning Interatomic Potentials
☆12Dec 28, 2025Updated 9 months ago
Alternatives and similar repositories for AwesomeMLP
Users that are interested in AwesomeMLP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tips for writing a PhD thesis with LaTeX☆11May 21, 2023Updated 3 years ago
- The database contains a vast set of data on the properties of glass materials.☆17Aug 27, 2023Updated 3 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆31Oct 14, 2021Updated 5 years ago
- Python library for advanced atomistic simulations☆23Sep 21, 2017Updated 9 years ago
- A generative model of compositionality in symmetric monoidal (Kleisli) categories☆12Oct 4, 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.
- Fully automated end to end framework to extract data from complex charts and other figures in scientific literature.☆21Oct 30, 2022Updated 3 years ago
- 从WordPress上移植的模板Kratos，Typecho专用。☆11Sep 1, 2017Updated 9 years ago
- Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.☆11Nov 10, 2022Updated 3 years ago
- Smith Normal Form calculator for integers and gaussian integers☆15Feb 25, 2023Updated 3 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- JARVIS-AIMS workshop☆22Jul 22, 2025Updated last year
- ☆15Jul 28, 2026Updated 2 months ago
- Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user inte…☆18Updated this week
- 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.
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 10 years ago
- A graphical user interface for LobsterPy☆20Nov 8, 2025Updated 11 months ago
- Python module for scientists working with glass materials☆43Jul 1, 2026Updated 3 months ago
- Lowering PyTorch's Memory Consumption for Selective Differentiation☆12Aug 29, 2024Updated 2 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- ☆38Updated this week
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated 2 years ago
- Topological Neural Networks go Persistent, Equivariant and Continuous☆17Jun 4, 2024Updated 2 years ago
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- eOn v2 and beyond☆19Updated this week
- 适合中国大陆用户使用的 Homebrew 应用代理镜像库☆25Updated this week
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- Code for "Symplectic Adjoint Method for Exact Gradient of Neural ODE with Minimal Memory," NeurIPS, 2021.☆18Jan 8, 2022Updated 4 years ago
- Datasets to be used by ESPEI. CC-BY-4.0☆16Oct 9, 2021Updated 5 years ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆25Updated this week
- Python-based persistent homology algorithms☆19Jul 21, 2023Updated 3 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- tools to read an abaqus odb, generate relevant outputs and write them to files☆12Jul 17, 2015Updated 11 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Code to analyze molecular dynamics trajectory☆18Nov 13, 2024Updated last year
- This repository contains different code examples.☆10Aug 24, 2025Updated last year
- Take your Jupyter Notebook(s) and upload to your Notion account only on one step.☆14Sep 6, 2022Updated 4 years ago
- Repositorio usado para el curso Programación 3 - PUCP☆23Oct 8, 2026Updated last week
- **CVE-2026-2636** is a vulnerability in the Windows Common Log File System (CLFS) driver (`CLFS.sys`). An unprivileged user can trigger a…☆15Feb 26, 2026Updated 7 months ago
- AiiDA Web API for data queries and workflow management.☆11Oct 7, 2026Updated last week
- A python interface of NEP☆71Oct 27, 2025Updated 11 months ago