☆102Dec 19, 2022Updated 3 years ago
Alternatives and similar repositories for SynNet
Users that are interested in SynNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Oct 3, 2026Updated 2 weeks ago
- ☆236May 23, 2024Updated 2 years ago
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆48Apr 30, 2024Updated 2 years ago
- ☆68Mar 11, 2023Updated 3 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆14Jan 11, 2022Updated 4 years ago
- Synthesis generative model☆49Apr 24, 2025Updated last year
- ☆15Jul 5, 2022Updated 4 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆82Jul 17, 2023Updated 3 years ago
- ☆28Oct 31, 2022Updated 3 years ago
- ☆180Apr 22, 2022Updated 4 years ago
- pythonic interface to virtual screening software☆95Sep 4, 2025Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 7 months ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 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 tool for retrosynthetic planning☆905Apr 13, 2026Updated 6 months ago
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Jun 17, 2024Updated 2 years ago
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆81Jul 17, 2023Updated 3 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- ☆378May 24, 2025Updated last year
- ☆58Mar 14, 2024Updated 2 years ago
- active learning for accelerated high-throughput virtual screening☆215Jun 15, 2024Updated 2 years ago
- Package for Retrosynthetic Planning☆212Oct 7, 2026Updated last week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Explainer for black box models that predict molecule properties☆355Apr 1, 2026Updated 6 months ago
- CReM: chemically reasonable mutations framework☆287Sep 23, 2026Updated 3 weeks ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆100Aug 25, 2021Updated 5 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- ☆25Jan 22, 2025Updated last year
- Mol-Opt: a toolbox for molecular design☆25Apr 15, 2024Updated 2 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆176Jul 9, 2022Updated 4 years ago
- ☆17Jan 10, 2024Updated 2 years ago
- The graph-convolutional neural network for pka prediction☆104Jan 11, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆414Nov 16, 2023Updated 2 years ago
- generative model for drug discovery☆65Oct 25, 2025Updated 11 months ago
- GraphRXN☆32May 22, 2023Updated 3 years ago
- ☆10Jul 30, 2024Updated 2 years ago
- ☆91Jan 11, 2025Updated last year
- 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
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆245Apr 21, 2026Updated 5 months ago