☆22Nov 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☆54Dec 23, 2025Updated 7 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆273Updated this week
- ☆26Feb 13, 2025Updated last year
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 10 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 8 months 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.
- 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…☆28Jul 21, 2026Updated 2 weeks ago
- 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
- ☆24Jul 14, 2022Updated 4 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆48Jul 15, 2026Updated 3 weeks ago
- A platform for setting up high throughput polymer electrolyte MD simulations.☆22May 9, 2026Updated 3 months ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 2 months ago
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- Supplementary scripts for Z1+ users☆19Dec 12, 2025Updated 7 months 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.
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆25Aug 3, 2026Updated last week
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆24Oct 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☆17Updated this week
- ☆11May 22, 2026Updated 2 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆30Jan 21, 2026Updated 6 months ago
- OpenFF NAGL☆22Updated this week
- XenonPy is a Python Software for Materials Informatics☆158Jul 15, 2024Updated 2 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.
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated 2 weeks ago
- 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 4 months ago
- A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensembl…☆21May 20, 2026Updated 2 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 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☆48Updated this week
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- ☆64Jul 14, 2026Updated 3 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 8 months ago
- Shared repo for trajectory analysis and infrastructure development☆24Feb 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 6 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago