CambridgeMolecularEngineering / tabledataextractor
Extracts data from tables with complicated structures.
☆13Updated 2 years ago
Related projects: ⓘ
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆18Updated 11 months ago
- Python toolkit for resolving chemical schematic diagrams.☆37Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆21Updated 2 months ago
- ☆27Updated 3 years ago
- An open-source effort towards accessible polymer data☆31Updated 3 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆18Updated 2 weeks ago
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆25Updated 2 weeks ago
- LimeSoup is a package to parse HTML or XML papers from different publishers.☆19Updated 3 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆42Updated last month
- The Block Copolymer Phase Behavior Database (BCDB)☆14Updated 6 months ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆68Updated last month
- Example scripts using the CSD Python API☆58Updated 3 weeks ago
- Language-interfaced fine-tuning for chemistry☆31Updated 9 months ago
- Action sequence prediction for arbitrary chemical equations☆25Updated 3 years ago
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆27Updated this week
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆31Updated 2 years ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆26Updated 2 years ago
- ☆26Updated last month
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆17Updated 3 years ago
- CGRs, molecules and reactions manipulation☆43Updated last year
- A Molecular Stereostructure Descriptor based on Spherical Projection☆12Updated 6 months ago
- A benchmark dataset for polymer informatics.☆49Updated 3 years ago
- ☆40Updated 2 months ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆17Updated 2 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆53Updated last year
- Converts clipboard content to smiles and much more☆54Updated 3 months ago
- Downloads USPTO patents and finds molecules related to keyword queries☆43Updated 9 months ago
- ☆12Updated 3 weeks ago
- ☆17Updated 3 years ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆48Updated 2 months ago