☆18Jan 26, 2024Updated 2 years ago
Alternatives and similar repositories for edesigner_core
Users that are interested in edesigner_core are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- LillyMol Public Code☆135Aug 28, 2025Updated 8 months ago
- Open-source tool for synthons-based library design.☆89Jan 8, 2025Updated last year
- Tools to train synthesis prediction models☆30Feb 11, 2026Updated 2 months ago
- ☆66Mar 11, 2023Updated 3 years ago
- This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the …☆12Oct 30, 2020Updated 5 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.
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 7 years ago
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- ☆11Nov 11, 2023Updated 2 years ago
- A simple web demo with minimal framework using PyTorch and Streamlit to showcase an image classification model.☆13Dec 17, 2022Updated 3 years ago
- The repository for the generative pretrained model on polymer generation☆18Mar 20, 2026Updated last month
- The code for SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network.☆11Dec 27, 2021Updated 4 years ago
- CheTo - Chemical Topic Modeling☆34Apr 12, 2021Updated 5 years ago
- ugtm: a Python package for Generative Topographic Mapping☆52Feb 22, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆141Nov 10, 2025Updated 5 months ago
- ☆11Jul 6, 2023Updated 2 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆190Dec 5, 2025Updated 5 months ago
- AnOxPePred: Using deep learning for the prediction of antioxidative properties of peptides.☆10Dec 28, 2019Updated 6 years ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 5 months ago
- Repository for Text2Mol: Cross-Modal Molecular Retrieval with Natural Language Queries☆50Mar 18, 2025Updated last year
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆82Apr 13, 2021Updated 5 years ago
- An implementation of the Latent Gan as discribed in the publication [cite]☆64Apr 2, 2021Updated 5 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Computer-aided synthesis planning☆50Apr 28, 2026Updated last week
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- ETL project to download and process both CME open interest data, COT data from the CFTC and NAV/shares-outstanding data from various ETF …☆12Jul 13, 2021Updated 4 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆285Jan 25, 2026Updated 3 months ago
- Universal cheminformatics toolkit, utilities and database search tools☆387Updated this week
- ☆105Feb 15, 2024Updated 2 years ago
- ☆15Aug 13, 2021Updated 4 years ago
- Maximum mean discrepancy comparisons for single cell profiling experiments☆20Feb 9, 2022Updated 4 years ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 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.
- Generative AI for designing easily synthesizable small molecule drugs☆215Apr 27, 2026Updated last week
- Dockerfile to build a working CellProfiler (http://cellprofiler.org/) image☆11Jun 2, 2022Updated 3 years ago
- The Polaris datasets and benchmarks recipes☆13May 26, 2025Updated 11 months ago
- Scientific Computing from Scratch☆11Oct 23, 2025Updated 6 months ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- ☆21Feb 16, 2024Updated 2 years ago
- ☆23Feb 13, 2025Updated last year