Dingyun-Huang / chemdataextractorTADFLinks
ChemDataExtractor 2.1 that has been modified for extracting properties of molecular thermally-activated delayed fluorescent (TADF) materials.
☆11Updated 3 months ago
Alternatives and similar repositories for chemdataextractorTADF
Users that are interested in chemdataextractorTADF are comparing it to the libraries listed below
Sorting:
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆10Updated last year
- Language-interfaced fine-tuning for chemistry☆44Updated last year
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- An open-source effort towards accessible polymer data☆37Updated 4 years ago
- Pipeline for automated extraction of chemical property information from scientific documents☆18Updated 6 years ago
- This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines…☆38Updated 3 months ago
- ☆25Updated last month
- Extract structure-functions from data using XAI and LLMs☆24Updated 7 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆14Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated 2 months ago
- Automated Transition States Builder☆11Updated 2 years ago
- Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation☆12Updated 8 months ago
- ☆36Updated 9 months ago
- ☆24Updated 2 months ago
- Prediction molecular structure from NMR spectra☆34Updated last year
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 3 years ago
- ChatGPT Chemistry Assistant☆85Updated 2 years ago
- ☆16Updated 2 years ago
- VMD Audio/Text control with natural language☆19Updated 4 years ago
- A new python package to visualize molecules in dots hover☆13Updated last year
- ☆14Updated 3 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆15Updated 2 years ago
- Python program for modelling and simulating polymers.☆39Updated last month
- ☆25Updated last year
- molecule design for fluorescence☆11Updated 3 years ago
- ☆37Updated 2 years ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Updated last year