frogstar-world-b / Transfer-Learning-ChemBERTaView external linksLinks
Apply fine-tuning and transfer learning for regression to ChemBERTa, a BERT-like model applied to chemical SMILES data.
☆18Jan 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
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
- benchmarking AI-powered docking methods from the perspective of virtual screening☆32Dec 26, 2024Updated last year
- Machine learning lecture (3Q) materials in Tokyo Tech☆11Nov 24, 2021Updated 4 years ago
- Demonstrator for the effectiveness of transformer models, specifically the newly released ChemBERTa-2, in predicting physical-chemical pr…☆14May 7, 2023Updated 2 years ago
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆13Apr 13, 2023Updated 2 years ago
- ☆13Sep 14, 2021Updated 4 years ago
- The Octopus Imitation Optimization Algorithm (OIOA), is inspired by the complex and efficient behavioural patterns displayed by octopuses…☆13Oct 19, 2025Updated 3 months ago
- ☆12Jun 21, 2025Updated 7 months ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆12Dec 19, 2017Updated 8 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 8 months ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- ☆11Jun 4, 2021Updated 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
- Using MolE pre-trained representation to predict novel antimicrobial compounds☆11Aug 28, 2025Updated 5 months ago
- A proxy server that intercepts Anthropic API requests and converts them to OpenAI-compatible format, enabling integration with dozens of …☆24Nov 15, 2025Updated 2 months ago
- ☆12Dec 19, 2024Updated last year
- LillyMol Public Code☆15Feb 6, 2026Updated last week
- ☆13Feb 20, 2025Updated 11 months ago
- This repository is a cloud storage of my new research ideas and interests in Bioinformatics and Computational Biology. Github is a good w…☆14May 30, 2017Updated 8 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆54Feb 22, 2022Updated 3 years ago
- ☆14Jul 25, 2024Updated last year
- My personal website☆12Jul 16, 2021Updated 4 years ago
- ☆47Oct 17, 2023Updated 2 years ago
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Oct 16, 2022Updated 3 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Nov 13, 2018Updated 7 years ago
- ☆11Feb 28, 2024Updated last year
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated last year
- ☆13Oct 6, 2024Updated last year
- A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.☆15Feb 28, 2025Updated 11 months ago
- ☆12Jun 19, 2021Updated 4 years ago
- ☆16Sep 15, 2025Updated 4 months ago
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 2 years ago
- Predict whether the protien sequence and the drug SMILES will be interact with each other☆13Apr 25, 2019Updated 6 years ago
- A repository for evaluating single-step retrosynthesis algorithms☆19Jul 23, 2024Updated last year
- A seq2seq translation model with attention mechanism in MXNET☆12Aug 30, 2019Updated 6 years ago