☆29Sep 30, 2022Updated 4 years ago
Alternatives and similar repositories for askcos_synthesizability
Users that are interested in askcos_synthesizability are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 5 years ago
- ☆11Aug 3, 2023Updated 3 years ago
- A lightweight visualization tool for molecules and their properties☆16Sep 19, 2017Updated 9 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.
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 8 years ago
- ☆10Sep 25, 2019Updated 7 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- Scripts for running alchemical, free-energy perturbation simulations using Gromacs☆18Feb 27, 2018Updated 8 years ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- research the 2019-nCov and design the inhibitors with AI☆14Jun 6, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 6 years ago
- ☆14Oct 16, 2022Updated 4 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Oct 22, 2021Updated 5 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- 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
- SMARTS sanitization☆34Mar 2, 2026Updated 7 months ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 8 years ago
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 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.
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆177Jul 9, 2022Updated 4 years ago
- ☆16Jul 15, 2019Updated 7 years ago
- Molecular vectorization and batch generation☆50Mar 23, 2021Updated 5 years ago
- Atom order in one molecule is made to match that in another☆12Nov 2, 2020Updated 5 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 8 months ago
- The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in …☆150Oct 15, 2026Updated 2 weeks ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆26Dec 4, 2019Updated 6 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆46Jul 23, 2023Updated 3 years ago
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 6 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆72Apr 5, 2021Updated 5 years ago