learningmatter-mit / Chem-prop-predLinks
Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
☆20Updated 10 months ago
Alternatives and similar repositories for Chem-prop-pred
Users that are interested in Chem-prop-pred are comparing it to the libraries listed below
Sorting:
- Molecular graph deep sets learning for mixture property modeling.☆22Updated 4 months ago
- rule-based virtual polymer library generator☆36Updated this week
- ☆19Updated 3 years ago
- ☆14Updated 4 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆19Updated last week
- A benchmark dataset for polymer informatics.☆62Updated 4 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆24Updated 9 months ago
- ☆32Updated 4 years ago
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15Updated 3 years ago
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆32Updated 9 months ago
- ☆18Updated 10 months ago
- The architector python package - for 3D metal complex design. C22085☆54Updated last week
- ☆14Updated 3 weeks ago
- Shared repo for trajectory analysis and infrastructure development☆19Updated last year
- The Block Copolymer Phase Behavior Database (BCDB)☆18Updated last year
- ☆29Updated 10 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆24Updated last week
- ☆30Updated 3 years ago
- ☆31Updated 3 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆40Updated 2 years ago
- Automated reaction discovery and dataset generation with the growing string method☆20Updated 5 years ago
- ☆43Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆22Updated 11 months ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆35Updated 11 months ago
- ☆12Updated 7 months ago
- AIMNet-NSE model☆43Updated last year
- ☆25Updated 10 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆28Updated 9 months ago
- This is the repository corresponding to the TS-tools project.☆23Updated 2 months ago