Demonstrator for the effectiveness of transformer models, specifically the newly released ChemBERTa-2, in predicting physical-chemical property endpoints with comparable accuracy to standard machine-learning techniques without the need for descriptor calculation and selection
☆17Mar 1, 2026Updated 5 months ago
Alternatives and similar repositories for LCW-Fine-Tuning-ChemBERTa-2
Users that are interested in LCW-Fine-Tuning-ChemBERTa-2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Resources for Learning Cheminformatics with the RDKit☆19Apr 7, 2019Updated 7 years ago
- ftyuejian / Predicting-CO2-Absorption-in-Ionic-Liquid-with-Molecular-Descriptors-and-Explainable-GNNData and code for Predicting CO2 Absorption in Ionic Liquid with Molecular Descriptors and Explainable Graph Neural☆20Sep 2, 2022Updated 3 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- ☆11Mar 10, 2024Updated 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.
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated 5 months ago
- ☆13Jul 13, 2019Updated 7 years ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 3 years ago
- Pangenome Analysis in Prokaryotes Lesson☆13Aug 20, 2024Updated last year
- the toolbox for Microbial and personalized GEM, REactiobiome and community NEtwork modelling☆11Feb 3, 2024Updated 2 years ago
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆14Mar 16, 2023Updated 3 years ago
- A taxonomic classifier for shotgun metagenomics reads☆11Apr 4, 2025Updated last year
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated last year
- Repository holding the code for the drugfindR R package☆13Aug 10, 2026Updated last week
- 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.
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 3 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Jul 2, 2026Updated last month
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- A pipeline for primary analysis of shotgun metagenomic sequencing data☆11Jun 10, 2019Updated 7 years ago
- Software used to develop the TCMA database associated with 10.1016/j.chom.2020.12.001.☆15Nov 26, 2023Updated 2 years ago
- A device-independent random number generator☆18Apr 27, 2024Updated 2 years ago
- ☆12Feb 10, 2023Updated 3 years ago
- ☆16Apr 7, 2026Updated 4 months ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 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.
- Guided introduction to the Rust programming language.☆18Apr 6, 2021Updated 5 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 2 years ago
- Mol2vec notebooks for use with Binder service☆29Mar 24, 2018Updated 8 years ago
- This repository contains teaching material for the 3rd International Summer School on Non-Targeted Metabolomics Data Mining for Biomedica…☆12Aug 25, 2023Updated 2 years ago
- Bacterial Operon Finder for Functional Organization☆14Nov 14, 2023Updated 2 years ago
- ☆13Apr 12, 2018Updated 8 years ago
- Molecular size calculation based on ellipsoid fitting over N conformers☆17Jan 17, 2022Updated 4 years ago
- ParetoDrug☆11Sep 3, 2024Updated last year
- 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.
- Semi-supervised learning code + CAVD + BVSE + QE-NEB for identifying prospective ion conductors☆15Sep 24, 2022Updated 3 years ago
- Build a map of genes present across a set of microbial genomes☆18Jan 23, 2026Updated 6 months ago
- ☆15Sep 27, 2024Updated last year
- Pipelines used in the lab.☆15Mar 26, 2025Updated last year
- ☆13Dec 29, 2021Updated 4 years ago
- ☆38Jul 19, 2024Updated 2 years ago
- ☆10Dec 23, 2020Updated 5 years ago