JorenBE / GPT-ChallengeLinks
☆12Updated 8 months ago
Alternatives and similar repositories for GPT-Challenge
Users that are interested in GPT-Challenge are comparing it to the libraries listed below
Sorting:
- Example scripts using the CSD Python API☆73Updated 2 weeks ago
- Prediction molecular structure from NMR spectra☆32Updated last year
- ☆31Updated 11 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆30Updated 10 months ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆39Updated last year
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆41Updated 2 years ago
- ☆31Updated 3 years ago
- ☆30Updated 3 years ago
- rule-based virtual polymer library generator☆41Updated 2 weeks ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆105Updated last year
- An Integrated VMD Graphical User Interface for Molecular Packing☆22Updated 6 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆76Updated 2 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆20Updated last month
- ☆18Updated 11 months ago
- AIMNet-NSE model☆43Updated last year
- Deep learning for molecules quantum chemistry properties prediction☆41Updated 4 years ago
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Updated 10 months ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆29Updated 3 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- ☆46Updated 3 years ago
- ☆17Updated 2 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆55Updated 8 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆30Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Updated 11 months ago
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆27Updated 3 months ago
- A package for all physics based/related models☆52Updated 10 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆57Updated 7 months ago
- GraphRXN☆28Updated 2 years ago
- ☆32Updated 4 years ago