Molecule SMILES generation with GAN and Reinforcement Learning (Training Language GAN from scratch)
☆13Sep 12, 2021Updated 4 years ago
Alternatives and similar repositories for molgen
Users that are interested in molgen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- Molecular SMILE generation with recurrent neural networks☆22Jul 13, 2025Updated 11 months ago
- ☆12Nov 15, 2020Updated 5 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- ☆16Aug 17, 2024Updated last year
- 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.
- A Flow-based Variational Autoencoder for Molecule Generation☆10Feb 21, 2022Updated 4 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago
- VAE for generating valid SMILES molecules☆15Oct 1, 2021Updated 4 years ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆31Mar 25, 2023Updated 3 years ago
- CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism☆25Nov 9, 2022Updated 3 years ago
- ☆17Mar 11, 2023Updated 3 years ago
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 5 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆37Mar 28, 2022Updated 4 years 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.
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆47Aug 3, 2021Updated 4 years ago
- Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and…☆15Jun 13, 2026Updated 2 weeks ago
- This repository contains the code for our paper "Augmenting Black-box LLMs with Medical Textbooks for Clinical Question Answering" [EMNLP…☆15Oct 8, 2024Updated last year
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆84Mar 24, 2023Updated 3 years ago
- ☆45Sep 24, 2021Updated 4 years ago
- Moleculenet.ai Datasets And Splits☆108Apr 29, 2021Updated 5 years ago
- ☆110May 18, 2026Updated last month
- ☆13Jul 29, 2024Updated last year
- YSC 2023 Papers: A complete collection of research papers, code and data from the International Young Scientists Conference 2023 for youn…☆12Jan 17, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A new retrieval-based framework for controllable molecule generation.☆52Apr 22, 2023Updated 3 years ago
- ☆11Sep 13, 2024Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Sep 20, 2021Updated 4 years ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 2 years ago
- Aggregation framework for annotating datasets in computer vision tasks (detection, segmentation, video captioning etc.)☆12Nov 6, 2024Updated last year
- ☆59Nov 21, 2018Updated 7 years ago
- ☆20Mar 10, 2025Updated last year
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆30Oct 5, 2023Updated 2 years ago
- Tokenize and clean strings in Python☆11Jan 11, 2018Updated 8 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A package for generating synthetic data and fine-tuning a gliner model.☆14Jun 5, 2024Updated 2 years ago
- ☆23Mar 11, 2023Updated 3 years ago
- A simple implementation of anti-spam bot for itmo opensource chat☆11Sep 29, 2025Updated 9 months ago
- zero shot NER fine tuning☆14Mar 17, 2025Updated last year
- Code for the paper "Machine-Guided Discovery of a Real-World Rogue Wave Model" (Häfner et al., 2023)☆14Sep 25, 2023Updated 2 years ago
- ☆21Mar 27, 2021Updated 5 years ago
- ☆29Mar 16, 2023Updated 3 years ago