yangkevin2 / coronavirus_data
☆81Updated last year
Related projects ⓘ
Alternatives and complementary repositories for coronavirus_data
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 4 years ago
- ☆62Updated 5 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆145Updated 6 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆140Updated 2 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆118Updated last year
- Interpreting graph convolutional filters of target prediction network☆48Updated 5 years ago
- Database of Interacting Protein Structures (DIPS)☆95Updated 9 months ago
- ☆68Updated 2 years ago
- Energy-based models for atomic-resolution protein conformations☆95Updated 2 years ago
- ☆154Updated 8 months ago
- Mol-CycleGAN - a generative model for molecular optimization☆75Updated 5 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆197Updated 3 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆137Updated 4 months ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆91Updated 2 years ago
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 5 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆61Updated 2 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆54Updated 5 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆52Updated 4 years ago
- ☆59Updated 6 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆77Updated last year
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆67Updated 3 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆135Updated 5 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- Code for Fold2Seq paper from ICML 2021☆49Updated 2 years ago
- Baselines models for GuacaMol benchmarks☆135Updated 9 months ago
- ☆161Updated 2 years ago
- ☆50Updated 3 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆148Updated 5 years ago