☆15Jan 22, 2023Updated 3 years ago
Alternatives and similar repositories for ASAP
Users that are interested in ASAP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Oct 9, 2024Updated last year
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆94Aug 25, 2021Updated 4 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆28Mar 16, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆22Jul 25, 2024Updated last year
- Shows some of the ways molecule generation and optimization can go wrong☆17Jul 6, 2023Updated 2 years ago
- E_G_M_C_T_S☆15Nov 30, 2022Updated 3 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 4 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- LillyMol Public Code☆16Updated this week
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆57Apr 7, 2024Updated 2 years ago
- ☆26Apr 14, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆17Dec 5, 2024Updated last year
- ☆28Feb 27, 2026Updated last month
- ☆14Mar 2, 2023Updated 3 years ago
- ☆14May 15, 2024Updated last year
- ☆25May 29, 2025Updated 10 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 2 months ago
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆32Apr 21, 2024Updated last year
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆17Dec 12, 2024Updated last year
- Generates and scores synthetically tractable elaborations from fragment screens☆21Feb 27, 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.
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- ☆12Jul 5, 2024Updated last year
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated last year
- ☆13Nov 1, 2023Updated 2 years ago
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 2 years ago
- ☆16Mar 20, 2026Updated 3 weeks ago
- QM40 is a QMx type of dataset which includes 150K molecules optimized from B3LYP/6-31G(2df,p) level of theory in the Gaussian16 with QM p…☆20Mar 25, 2025Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated 3 weeks ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated 10 months ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- A repo for analysis of ensembles of protein-ligand complexes☆30Mar 11, 2026Updated last month
- ☆16Oct 19, 2016Updated 9 years ago
- ☆29Oct 29, 2023Updated 2 years ago
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆30Oct 20, 2025Updated 5 months ago
- python code for the JUAMI potentiostat☆11Mar 22, 2026Updated 2 weeks ago
- ☆12Nov 15, 2020Updated 5 years ago
- Package for Retrosynthetic Planning☆192Apr 1, 2026Updated last week