figotj / Polymer_Tg_Links
☆12Updated 3 years ago
Alternatives and similar repositories for Polymer_Tg_
Users that are interested in Polymer_Tg_ are comparing it to the libraries listed below
Sorting:
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 3 years ago
- ☆35Updated 4 months ago
- The Block Copolymer Phase Behavior Database (BCDB)☆20Updated last year
- Machine learning predictions of bond dissociation energy☆64Updated last year
- Keras layers for end-to-end learning with rdkit and pymatgen☆61Updated last year
- Quantum mechanical descriptor generation☆55Updated 5 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆25Updated 2 weeks ago
- Prediction molecular structure from NMR spectra☆33Updated last year
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆64Updated 2 months ago
- Automated reaction discovery and dataset generation with the growing string method☆21Updated 5 years ago
- A Python library for prediction of polymeric material properties.☆20Updated 3 years ago
- Data analytics for molecular solids melting points☆31Updated 2 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- Polymer property prediction with GNNs and deep set learning.☆24Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆36Updated this week
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 6 months ago
- AIMNet-NSE model☆46Updated last year
- ☆12Updated 2 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- A reinforcement learning library for material and molecule optimization☆31Updated last year
- An open-source effort towards accessible polymer data☆39Updated 4 years ago
- rule-based virtual polymer library generator☆47Updated last month
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆45Updated last year
- ☆13Updated 2 years ago
- ☆25Updated 6 months ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆21Updated 3 years ago
- ☆19Updated last year
- ☆21Updated 9 months ago
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆112Updated 2 months ago
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆28Updated 7 months ago