☆21Apr 13, 2026Updated 6 months ago
Alternatives and similar repositories for MatMaster
Users that are interested in MatMaster are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committ…☆39Jul 24, 2025Updated last year
- ☆20Feb 6, 2026Updated 8 months ago
- EvoMaster: A Foundational Evolving Agent Framework for Agentic Science at Scale.☆232Oct 9, 2026Updated 3 weeks ago
- Collecting a variety of Agent-Ready tool modules☆91Apr 9, 2026Updated 6 months ago
- ☆12Mar 18, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆90Updated this week
- ML potentials via transfer learning☆30Oct 23, 2026Updated last week
- LigParGen package version☆14Aug 20, 2026Updated 2 months ago
- ☆15Feb 17, 2025Updated last year
- ☆12Jan 2, 2021Updated 5 years ago
- A Platform for Laboratory Automation.☆180Oct 21, 2026Updated last week
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- Autonomous Knowledge Graph Exploration with Adaptive Breadth-Depth Retrieval☆15Apr 18, 2026Updated 6 months ago
- ☆16Feb 27, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆14Jan 22, 2025Updated last year
- L-OPLS modifications of the OPLS force field, implemented for GROMACS☆11Nov 30, 2015Updated 10 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
- Source code for the BUDE Alanine Scan web application.☆15May 27, 2025Updated last year
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- ☆17Apr 30, 2024Updated 2 years ago
- Predicting drug approval with reasoning.☆13Jul 2, 2026Updated 3 months ago
- A novel fast and accurate hybrid method for solving Poisson equation for closely-packed dielectric sphere composites.☆10Apr 2, 2021Updated 5 years ago
- ☆23Jan 6, 2025Updated last year
- 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.
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆54Oct 23, 2026Updated last week
- A Foundation Model for Crystal Structure Generation and Prediction☆154Mar 31, 2026Updated 6 months ago
- ABACUS开源软件的中文用户文档☆54Jul 31, 2026Updated 3 months ago
- Diffcalc: a diffraction condition calculator for X-ray or neutron diffractometer control☆22Apr 13, 2026Updated 6 months ago
- SciAssess is a comprehensive benchmark for evaluating Large Language Models' proficiency in scientific literature analysis across various…☆88May 21, 2025Updated last year
- ☆25May 21, 2025Updated last year
- Reaction Network Graph Theoretical tool for automated mechanistic studies in computational homogeneous catalysis☆11Oct 3, 2023Updated 3 years ago
- ☆63Sep 16, 2026Updated last month
- A Genetic algorithm + active learning framework to identify the optimal metallic nanoclusters for a given number of atoms☆10Oct 26, 2023Updated 3 years ago
- 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.
- Node Equivariant Message Passing Neural Network☆12Jul 4, 2026Updated 3 months ago
- CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit☆49Updated this week
- ☆11Oct 16, 2026Updated 2 weeks ago
- Data for QM9 molecules and reactions with 76 functionals and 3 basis sets☆12Sep 6, 2022Updated 4 years ago
- Ollama-friendly OpenAI Embeddings Proxy. This script bridges the gap between OpenAI's embedding API and Ollama, making it compatible with…☆12Jul 8, 2024Updated 2 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆19Jan 31, 2016Updated 10 years ago
- ProLint 2.0: a scalable framework for the analysis of biomolecular interactions in MD simulations.☆12Jun 14, 2026Updated 4 months ago