Pretrained SMILES transformation model for finetuning for diverse molecular tasks.
☆56Feb 22, 2022Updated 4 years ago
Alternatives and similar repositories for MolBART
Users that are interested in MolBART are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 2 months ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆131Sep 17, 2024Updated last year
- ☆37Mar 31, 2023Updated 3 years ago
- ☆37Mar 21, 2021Updated 5 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 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.
- ☆38Oct 8, 2021Updated 4 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- Mol2vec notebooks for use with Binder service☆29Mar 24, 2018Updated 8 years ago
- HiCOPS: Computational framework for peptide identification from MS data through accelerated database search☆10Mar 24, 2023Updated 3 years ago
- Deep Molecular Dreaming☆26May 25, 2024Updated 2 years ago
- Graph-based genetic algorithm☆95Jun 15, 2021Updated 4 years ago
- Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)☆84Feb 11, 2026Updated 4 months ago
- Molecular vectorization and batch generation☆50Mar 23, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Autonomous characterization of molecular compounds from small datasets without descriptors☆45Jun 25, 2025Updated 11 months ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆69Mar 29, 2022Updated 4 years ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆13Feb 24, 2021Updated 5 years ago
- Facilitates searching, screening, and organizing large chemical databases☆176Mar 1, 2024Updated 2 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An official Molecule Transformer Drug Target Interaction (MT-DTI) model☆36Nov 6, 2020Updated 5 years ago
- BAPA preprocessing scripts and model☆25Jul 22, 2021Updated 4 years ago
- ☆292Feb 11, 2026Updated 4 months ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- Shape-based alignment of molecules using 3D point-based representation☆23Apr 8, 2026Updated 2 months ago
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆153Mar 16, 2023Updated 3 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- Alignment-free 3D molecular shape descriptors based on spectral and diffusion geometry. Provides tools for computing Laplace-Beltrami spe…☆11Jan 21, 2019Updated 7 years ago
- ☆20May 25, 2020Updated 6 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆28Oct 30, 2023Updated 2 years ago
- ☆22Jan 5, 2025Updated last year
- ☆23Oct 6, 2022Updated 3 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆72Dec 8, 2023Updated 2 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆233Jul 15, 2022Updated 3 years ago
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆220Apr 11, 2023Updated 3 years ago
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year