Apply fine-tuning and transfer learning for regression to ChemBERTa, a BERT-like model applied to chemical SMILES data.
☆19Jan 12, 2024Updated 2 years ago
Alternatives and similar repositories for Transfer-Learning-ChemBERTa
Users that are interested in Transfer-Learning-ChemBERTa are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Sep 15, 2023Updated 2 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆13Apr 13, 2023Updated 3 years ago
- Code repo for Spatio-Temporal Denoising Graph Autoencoder (STD-GAE)☆12Sep 6, 2022Updated 3 years ago
- ☆22Sep 1, 2025Updated 8 months 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.
- A curated list of awesome protein design research, software and resources.☆16May 10, 2022Updated 4 years ago
- ☆12Jun 21, 2025Updated 11 months ago
- ☆15Feb 20, 2025Updated last year
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- Demonstrator for the effectiveness of transformer models, specifically the newly released ChemBERTa-2, in predicting physical-chemical pr…☆16Mar 1, 2026Updated 2 months ago
- ☆14Sep 14, 2021Updated 4 years ago
- Machine learning lecture (3Q) materials in Tokyo Tech☆11Nov 24, 2021Updated 4 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Detect EEG artifacts, outliers, or anomalies using supervised machine learning.☆13Sep 19, 2020Updated 5 years ago
- A simple machine learning model for small-molecule target prediction in Python.☆28Jan 22, 2021Updated 5 years ago
- Lo-Hi Splitter for Modern Splits of Molecular Datasets☆56Jul 8, 2025Updated 10 months ago
- ☆13Oct 6, 2024Updated last year
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 3 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆34Dec 26, 2024Updated last year
- ☆15Jul 25, 2024Updated last year
- This is a repository for the code developed to produced the results in the paper "Detection of Inferior Myocardial Infarction using Shall…☆10May 15, 2024Updated 2 years ago
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆14Dec 3, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Spectra prediction software and GUI for anyone to use.☆10Oct 14, 2019Updated 6 years ago
- ☆17Jul 11, 2023Updated 2 years ago
- A deep neural network with hybrid architecture (EGNN + Transformer) for molecular properties prediction.☆23Dec 9, 2023Updated 2 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆56Feb 22, 2022Updated 4 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Dec 28, 2021Updated 4 years ago
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆13Jun 3, 2025Updated 11 months ago
- Inference model for stock prediction using Temporal Fusion Transformers for Interpretable Multi-horizon Time Series Forecasting☆14Dec 25, 2023Updated 2 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- ChemBERTa-3 Repo☆63Jan 9, 2026Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Deep Learning Algorithm을 활용한 한영 번역기 개발☆12Aug 21, 2019Updated 6 years ago
- A seq2seq translation model with attention mechanism in MXNET☆12Aug 30, 2019Updated 6 years ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- ☆31Apr 3, 2025Updated last year
- shell 练习题,快速掌握平时常用的 shell 技巧☆17May 29, 2020Updated 5 years ago
- This repository is a cloud storage of my new research ideas and interests in Bioinformatics and Computational Biology. Github is a good w…☆16May 30, 2017Updated 8 years ago