☆25Nov 19, 2024Updated last year
Alternatives and similar repositories for Spacier
Users that are interested in Spacier are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- rule-based virtual polymer library generator☆56Dec 23, 2025Updated 8 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆281Aug 7, 2026Updated last month
- ☆28Feb 13, 2025Updated last year
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 11 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 10 months ago
- 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.
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆29Jul 21, 2026Updated last month
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- ☆25Jul 14, 2022Updated 4 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆50Jul 15, 2026Updated 2 months ago
- A platform for setting up high throughput polymer electrolyte MD simulations.☆23May 9, 2026Updated 4 months ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 3 months ago
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- Supplementary scripts for Z1+ users☆20Sep 3, 2026Updated 2 weeks 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.
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆25Updated this week
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 3 years ago
- ☆12Mar 31, 2023Updated 3 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆51Oct 12, 2022Updated 3 years ago
- Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions☆18Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆31Jan 21, 2026Updated 7 months ago
- OpenFF NAGL☆22Updated this week
- XenonPy is a Python Software for Materials Informatics☆159Jul 15, 2024Updated 2 years ago
- Framework to evaluate UMLFFs on experimental data☆16Jul 25, 2026Updated last month
- 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.
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- POINT2 Database -- POlymer INformatics Training and Testing Database based on PI1M☆30Mar 10, 2026Updated 6 months ago
- A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensembl…☆22May 20, 2026Updated 3 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆21Jun 9, 2024Updated 2 years ago
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆18Feb 11, 2025Updated last year
- A fast, clean, and composable toolkit for molecular modeling☆49Aug 28, 2026Updated 3 weeks ago
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- ☆68Aug 19, 2026Updated last month
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Shared repo for trajectory analysis and infrastructure development☆26Feb 21, 2024Updated 2 years ago
- ☆17Apr 22, 2025Updated last year
- ☆37Jul 18, 2025Updated last year
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- Builder for molecular systems☆17Feb 3, 2026Updated 7 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆24Sep 27, 2022Updated 3 years ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆46May 21, 2026Updated 3 months ago