Overview of published generative models that produce molecules
☆15Jan 16, 2020Updated 6 years ago
Alternatives and similar repositories for generative-models-for-molecules
Users that are interested in generative-models-for-molecules are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deep learning architectures for protein secondary structure prediction (version 2)☆11Mar 24, 2023Updated 3 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆19Dec 26, 2022Updated 3 years ago
- Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).☆11May 22, 2024Updated 2 years ago
- The OpenSMILES specification☆14May 13, 2020Updated 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.
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 6 years ago
- Score SMILES encoded structures for synthetic feasibility using ChEMBL compounds as reference☆10Dec 20, 2019Updated 6 years ago
- Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting☆18Jan 20, 2020Updated 6 years ago
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago
- POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"☆10Oct 18, 2018Updated 8 years ago
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 7 years ago
- Workshop 6 - Generalized linear models (GLM)☆13Sep 3, 2024Updated 2 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- ☆12Oct 3, 2023Updated 3 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.
- A lightweight visualization tool for molecules and their properties☆16Sep 19, 2017Updated 9 years ago
- Highlight and normalize unicode homoglyphs in Vim.☆12Feb 11, 2026Updated 8 months ago
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 7 years ago
- Nanopore plasmid pipeline (FAST5 basecalling, assembly, plasmid identification and antimicrobial resistance genes identification).☆13Apr 20, 2021Updated 5 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- Workshop 10 - Advanced multivariate analyses☆11Sep 3, 2024Updated 2 years ago
- A Python package to compute similarities between molecules and structures☆32Aug 13, 2020Updated 6 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15May 24, 2018Updated 8 years ago
- ☆12May 10, 2023Updated 3 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.
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆14Apr 29, 2020Updated 6 years ago
- ☆10Jun 10, 2024Updated 2 years ago
- ☆11Feb 18, 2024Updated 2 years ago
- This project is a reimplementation of the models introduced in the following papers: "Multiobjective de novo drug design with recurrent n…☆20Jul 9, 2022Updated 4 years ago
- Molecular size calculation based on ellipsoid fitting over N conformers☆17Jan 17, 2022Updated 4 years ago
- Repo for distillation of chemical knowledge into python code☆13Sep 28, 2026Updated last month
- Img2SMILES generator☆27Aug 29, 2021Updated 5 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- 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.
- Get fast predictions for univariate time series☆10Jun 5, 2020Updated 6 years ago
- A GGNN-GWM based step-wise framework for Chemical Synthesis Prediction☆20Oct 1, 2019Updated 7 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- interactive SDF Viewer presented originally at the RDKit UGM 2014☆21Jun 23, 2017Updated 9 years ago
- MD pharmacophores and virtual screening☆35Dec 15, 2023Updated 2 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated last year