☆12Mar 31, 2023Updated 3 years ago
Alternatives and similar repositories for polyga
Users that are interested in polyga are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python library for prediction of polymeric material properties.☆25May 6, 2022Updated 4 years ago
- ☆13May 13, 2022Updated 4 years ago
- Graph Learning over Macromolecule Representations☆25Dec 31, 2022Updated 3 years ago
- ☆36Jul 18, 2025Updated last year
- ☆26Feb 13, 2025Updated last year
- 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.
- Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.☆26May 9, 2024Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆34May 6, 2025Updated last year
- ☆18Jul 10, 2026Updated last week
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- ☆30May 14, 2025Updated last year
- ☆18Oct 29, 2025Updated 8 months ago
- ☆17Jan 15, 2025Updated last year
- Detection, colocalization, and quantification of spots / puncta☆16Mar 22, 2023Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆35Sep 3, 2024Updated last year
- Notebook tutorials for MolecularGraph.jl☆11Jun 22, 2025Updated last year
- 偏微分方程数值解法相关算法: PDE fun Finite difference method Finite element difference method Calculus of differences Two dimensional heat conduction …☆19Aug 18, 2023Updated 2 years ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated last month
- ☆14Aug 3, 2023Updated 2 years ago
- ☆13Jun 9, 2021Updated 5 years ago
- ☆22Nov 19, 2024Updated last year
- The repository for the generative pretrained model on polymer generation☆21Mar 20, 2026Updated 4 months ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- 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.
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- 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
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Example of using JupyterHub with JupyterLab RTC☆11Dec 17, 2021Updated 4 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 5 years ago
- Source code for "Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome inter…☆13Jun 17, 2022Updated 4 years ago
- An implementation of Delaney's ESOL method using the RDKit☆64Sep 6, 2018Updated 7 years ago
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- ☆10Dec 20, 2023Updated 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.
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 5 months ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆16Dec 18, 2025Updated 7 months ago
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆50Oct 12, 2022Updated 3 years ago
- Add CMAP parameters into common AMBER prmtop file☆14Sep 12, 2021Updated 4 years ago
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆15Updated this week
- A list of useful stuff in Machine Learning, Computer Graphics, Software Development, ...☆18Nov 14, 2022Updated 3 years ago