daiyizheng / DLLinks
☆11Updated 2 weeks ago
Alternatives and similar repositories for DL
Users that are interested in DL are comparing it to the libraries listed below
Sorting:
- Retrosynthesis Prediction with an Iterative String Editing Model☆20Updated 6 months ago
- VenomPred 2.0 API☆11Updated 5 months ago
- ☆77Updated last year
- Junction-tree variational auto-encoder for Python 3 (https://arxiv.org/abs/1802.04364)☆9Updated 4 years ago
- semi-supervised learning for molecular property prediction☆51Updated 3 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆82Updated last year
- The repository for the generative pretrained model on polymer generation☆12Updated 6 months ago
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆58Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated last week
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation☆22Updated 11 months ago
- FS-GNNTR: Few-shot Learning with Transformers via Graph Embeddings for Molecular Property Prediction☆19Updated 3 months ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆52Updated 8 months ago
- ☆26Updated 10 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- A python package for computer-aid drug design.☆35Updated last month
- a multi-property optimization method.☆33Updated 7 months ago
- ☆17Updated 2 years ago
- ☆28Updated 2 years ago
- ☆15Updated last month
- ☆48Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆28Updated last year
- ☆70Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆19Updated 4 months ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 2 years ago
- ☆43Updated last year
- ☆57Updated 2 years ago
- ☆26Updated last year
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆86Updated 2 months ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆74Updated 3 years ago
- ☆19Updated 2 months ago