☆17Nov 19, 2024Updated last year
Alternatives and similar repositories for Spacier
Users that are interested in Spacier are comparing it to the libraries listed below
Sorting:
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆249Feb 2, 2026Updated last month
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 5 months ago
- OpenFF NAGL☆19Feb 10, 2026Updated last month
- ☆11Sep 3, 2025Updated 6 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 4 months ago
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- workshops☆12Feb 19, 2023Updated 3 years ago
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆17Mar 27, 2024Updated last year
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆20Feb 14, 2024Updated 2 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆22Oct 12, 2022Updated 3 years ago
- ☆15Nov 20, 2023Updated 2 years ago
- A tool for visualizing Martini force field simulations in VMD☆22Aug 22, 2025Updated 6 months ago
- Benchmarking physics-constrained data-driven models of hyperelasticity against rubber and soft tissue datasets☆16Jan 15, 2023Updated 3 years ago
- ☆21Mar 25, 2025Updated 11 months ago
- ☆11Jul 21, 2023Updated 2 years ago
- rule-based virtual polymer library generator☆48Dec 23, 2025Updated 2 months ago
- Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.☆17Feb 6, 2026Updated last month
- ☆56Mar 5, 2026Updated 2 weeks ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated last year
- ☆15Mar 12, 2024Updated 2 years ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆23Updated this week
- A deep learning and genetic algorithm framework for tailoring the mechanical properties of 3D microstructures☆14Aug 30, 2023Updated 2 years ago
- Multiscale modeling of inelastic materials with Thermodynamics-based Artificial Neural Networks (TANN)☆13Aug 26, 2024Updated last year
- MCPB Bundle for connecting Claude Desktop to Macuse. Macuse is a macOS app that bridges AI assistants with native macOS functionality.☆22Mar 3, 2026Updated 2 weeks ago
- Agentic framework combining the power of LLMs with domain-specific tools for materials science, enabling property extraction, simulations…☆13May 1, 2025Updated 10 months ago
- This repository offers a collection of simulation datasets from mechanical simulations of metamaterials. Jupyter notbooks demonstrate how…☆17Nov 1, 2022Updated 3 years ago
- Using Fourier Neural Operator to measure the physical fields for a mode-I failure of 2D composites☆12Nov 13, 2022Updated 3 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- ☆15Jun 18, 2024Updated last year
- Awesome list about AI4Polymer☆18Sep 23, 2025Updated 5 months ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆32Dec 18, 2025Updated 3 months ago
- DDI-LLM:💊 Drug-Drug Interaction Prediction: Experimenting With Large Language-Based Drug Information Embedding For Multi-View Representa…☆14Sep 15, 2023Updated 2 years ago
- ☆34Oct 18, 2024Updated last year
- Neural Network (NN) based anisotropic material model with an Abaqus UMAT implementation☆20Jul 3, 2022Updated 3 years ago
- Deep neural network based prediction model for gene essentiality prediction in microbes☆10Feb 11, 2021Updated 5 years ago
- ☆12Apr 16, 2018Updated 7 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago