☆52Nov 1, 2020Updated 5 years ago
Alternatives and similar repositories for SMILES-BERT
Users that are interested in SMILES-BERT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code of paper: "MCANet: Shared-weight-based MultiheadCrossAttention network for drug-target interaction prediction"☆17Apr 10, 2023Updated 3 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆16Jan 27, 2022Updated 4 years ago
- ☆14Apr 16, 2024Updated last year
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆488Oct 27, 2024Updated last year
- ☆45Sep 24, 2021Updated 4 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.
- Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.☆319Nov 4, 2023Updated 2 years ago
- 「機械学習による分子最適化」のサポートページ☆12Jan 31, 2024Updated 2 years ago
- pre-training BERT with molecular data☆50Oct 13, 2021Updated 4 years ago
- code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"☆17Aug 1, 2022Updated 3 years ago
- ☆29May 22, 2020Updated 5 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆356Dec 22, 2022Updated 3 years ago
- ☆13Sep 14, 2021Updated 4 years ago
- ☆26Jan 17, 2024Updated 2 years ago
- ☆168Jul 15, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆51May 25, 2024Updated last year
- Supervised Training of Conditional Monge Maps☆19Oct 30, 2023Updated 2 years ago
- ☆59Jul 16, 2021Updated 4 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆130Sep 17, 2024Updated last year
- ☆26Mar 20, 2026Updated 3 weeks ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Feb 4, 2019Updated 7 years ago
- This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data☆386Feb 25, 2026Updated last month
- Transformer CNN for QSAR/QSPR modelling☆111Oct 10, 2025Updated 5 months ago
- ☆25Jan 10, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆220Apr 11, 2023Updated 2 years ago
- Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.☆118Dec 26, 2022Updated 3 years ago
- Three-dimensional force fields fingerprints☆27Jan 11, 2022Updated 4 years ago
- Package to preprocess ontologies and train OntoVAE models.☆15Jan 7, 2025Updated last year
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆17Dec 26, 2024Updated last year
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- ☆10Jan 10, 2025Updated last year
- ☆286Feb 11, 2026Updated last month
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- semi-supervised learning for molecular property prediction☆51Aug 17, 2021Updated 4 years ago
- Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…☆14Jan 13, 2023Updated 3 years ago
- The source code for "MG-BERT: Multi-Graph Augmented BERT for Masked Language Modeling" paper (NAACL 2021, TextGraphs-15).☆12Jun 11, 2021Updated 4 years ago
- ☆17Apr 28, 2020Updated 5 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- ☆49Jan 6, 2020Updated 6 years ago