Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
☆18Mar 27, 2024Updated 2 years ago
Alternatives and similar repositories for MTL_ChiParameter
Users that are interested in MTL_ChiParameter are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- ☆21Apr 15, 2026Updated 6 months ago
- rule-based virtual polymer library generator☆56Dec 23, 2025Updated 10 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆47Updated this week
- The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) ba…☆12Oct 9, 2024Updated 2 years 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.
- A domain specific language for creating scientific pipelines☆14Oct 23, 2026Updated last week
- Prepare topology and coordinate file for CG models in Genesis.☆13Updated this week
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated 2 months ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- A Python library for prediction of polymeric material properties.☆24May 6, 2022Updated 4 years ago
- ADEPT: Automated molecular Dynamics Engine for Polymer simulaTions☆17Jun 27, 2026Updated 4 months ago
- Pythonによるフェーズフィールド法入門 -基礎理論からデータ同化の実装まで- (丸善出版株式会社)に掲載のサンプルプログラムです。☆31Nov 24, 2023Updated 2 years ago
- Japanese translation of "Deep learning for molecules and materials book"☆16Oct 11, 2022Updated 4 years ago
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Code for the paper Copolymer Informatics with Multi-Task Deep Neural Networks☆15Sep 3, 2024Updated 2 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆19Dec 27, 2017Updated 8 years ago
- Fast and Transferable MLIP Implicit Solvation☆20Oct 14, 2026Updated 2 weeks ago
- Crsytal simulation tools☆11Oct 20, 2026Updated last week
- ☆25Sep 3, 2024Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆35May 6, 2025Updated last year
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A guide for using Bootstrap 5 classes in Dash Bootstrap Components V1☆19Nov 27, 2022Updated 3 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆45Aug 16, 2026Updated 2 months ago
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 6 years ago
- ☆22Feb 16, 2024Updated 2 years ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆289Oct 13, 2026Updated 2 weeks ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆48Mar 27, 2025Updated last year
- Code for optimizing the GōMartini force field to reproduce atomistic ensembles using a perturbation based approach☆15Oct 26, 2025Updated last year
- 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.
- A unified tree search framework for molecular generation.☆24Oct 21, 2026Updated last week
- Quantifying Pairwise Chemical Similarity for Polymers☆16Jan 23, 2024Updated 2 years ago
- ☆12Mar 31, 2023Updated 3 years ago
- MPI environment selector☆15Oct 8, 2019Updated 7 years ago
- A Python library for constructing polymer topologies and coordinates☆24Sep 23, 2025Updated last year
- A benchmark dataset for polymer informatics.☆108May 31, 2021Updated 5 years ago
- Plotly Dash components developed by the Materials Project☆32Sep 22, 2026Updated last month