Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
☆31May 29, 2021Updated 5 years ago
Alternatives and similar repositories for MolEvol
Users that are interested in MolEvol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 7 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆169Sep 29, 2022Updated 4 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆11Jun 16, 2024Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 3 years ago
- ☆10Apr 4, 2024Updated 2 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆447Jun 28, 2022Updated 4 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Feb 5, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- this is official implement of Tora3D☆10May 8, 2023Updated 3 years ago
- ☆55Feb 3, 2022Updated 4 years ago
- ☆18Apr 11, 2023Updated 3 years ago
- ☆77Sep 19, 2022Updated 4 years ago
- ☆12Jul 3, 2021Updated 5 years ago
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space☆120Jul 9, 2021Updated 5 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆72Apr 5, 2021Updated 5 years ago
- source code for deppHop☆36Aug 19, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆14Jan 11, 2022Updated 4 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 years ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆18Sep 10, 2024Updated 2 years ago
- generative model for drug discovery☆66Oct 25, 2025Updated last year
- ☆14Dec 18, 2019Updated 6 years ago
- Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …☆19Aug 30, 2022Updated 4 years ago
- Code for our paper "Protein sequence design with a learned potential"☆34Aug 5, 2021Updated 5 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 6 years ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.☆16Oct 19, 2019Updated 7 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- ☆17Feb 8, 2024Updated 2 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆35Feb 23, 2021Updated 5 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆29Nov 6, 2022Updated 4 years ago
- Applying deep neural networks for retrosynthesis tasks☆38Mar 2, 2020Updated 6 years ago
- Population-based De Novo Molecule Generation, Using Grammatical Evolution☆43Mar 30, 2021Updated 5 years ago
- Official repository for multitask deep learning models.☆19Jun 12, 2026Updated 4 months ago