☆14May 30, 2025Updated last year
Alternatives and similar repositories for Openpoly_benchmark
Users that are interested in Openpoly_benchmark are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Polymer Electrolyte Modeling and Discovery (PEMD) is a Python toolkit for building, simulating, and analyzing polymer-electrolyte systems…☆13Oct 23, 2026Updated 2 weeks ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆21Jun 9, 2024Updated 2 years ago
- ☆26Nov 19, 2024Updated last year
- 1st place solution to the "NeurIPS - Open Polymer Prediction 2025" Kaggle competition☆13Sep 29, 2025Updated last year
- ☆14Dec 28, 2025Updated 10 months 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.
- ADEPT: Automated molecular Dynamics Engine for Polymer simulaTions☆17Jun 27, 2026Updated 4 months ago
- Database and code for predicting polymer solubility with machine learning.☆12Dec 11, 2024Updated last year
- ☆33May 14, 2025Updated last year
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆18Mar 27, 2024Updated 2 years ago
- ☆23Jan 6, 2025Updated last year
- ☆22Apr 26, 2026Updated 6 months ago
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆29Jul 21, 2026Updated 3 months ago
- rule-based virtual polymer library generator☆57Dec 23, 2025Updated 10 months ago
- Shared repo for trajectory analysis and infrastructure development☆26Feb 21, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Cy-RSoXS Forward Simulator for Resonant Soft X-Ray Scattering☆15Mar 23, 2026Updated 7 months ago
- A Python library for constructing polymer topologies and coordinates☆25Sep 23, 2025Updated last year
- Generate PEG topology for GROMACS and LAMMPS☆26Oct 16, 2026Updated 3 weeks ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- The official manual of openLCA 2.☆12Oct 29, 2026Updated last week
- ☆12Apr 16, 2021Updated 5 years ago
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆13May 29, 2020Updated 6 years ago
- A knowledge graph unifying computational and experimental data for MOFs☆52Nov 14, 2025Updated 11 months ago
- ☆31Feb 13, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- NanoMine Nanocomposites Data Resource (master branch is production)☆21May 1, 2023Updated 3 years ago
- Data hub and data tool repository related to the NIST PFAS Program.☆13Sep 26, 2024Updated 2 years ago
- Text-based modeling of materials.☆44Aug 14, 2026Updated 2 months ago
- 채팅 읽어주는 로봇☆17Oct 2, 2025Updated last year
- ☆12Jul 4, 2025Updated last year
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆22Jul 14, 2026Updated 3 months ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 5 years ago
- The automation software that powers the NIST Autonomous Formulation Lab! A flexible, web-based backend for device integration, drivers f…☆18Aug 7, 2026Updated 2 months ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A novel fast and accurate hybrid method for solving Poisson equation for closely-packed dielectric sphere composites.☆10Apr 2, 2021Updated 5 years ago
- A framework for the science of agents and agents for science☆21Updated this week
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆36Aug 26, 2026Updated 2 months ago
- ☆13Jul 6, 2026Updated 4 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 9 months ago
- LigParGen package version☆14Aug 20, 2026Updated 2 months ago
- Predicting drug approval with reasoning.☆13Jul 2, 2026Updated 4 months ago