☆62Jun 30, 2025Updated 8 months ago
Alternatives and similar repositories for sparrow
Users that are interested in sparrow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆60Feb 24, 2026Updated last month
- Sample-efficient Generative Molecular Design using Memory Manipulation☆74Jun 10, 2025Updated 9 months ago
- Code Space of SynLlama☆47Dec 16, 2025Updated 3 months ago
- Fully automated high-throughput MD pipeline☆90Mar 11, 2026Updated 2 weeks ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆14May 15, 2024Updated last year
- ☆23May 15, 2019Updated 6 years ago
- Generates and scores synthetically tractable elaborations from fragment screens☆21Feb 27, 2026Updated 3 weeks ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- ☆12Mar 15, 2026Updated last week
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated 10 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated 11 months ago
- ☆11Oct 10, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Combinatorial antibiotic generation☆196Jan 13, 2026Updated 2 months ago
- Times Square Sampling☆12Feb 24, 2023Updated 3 years ago
- active learning for accelerated high-throughput virtual screening☆202Jun 15, 2024Updated last year
- ☆78Jan 11, 2025Updated last year
- ☆17Jul 30, 2024Updated last year
- ☆25Oct 30, 2020Updated 5 years ago
- Examples for use of YANK - getyank.org☆12Sep 20, 2021Updated 4 years ago
- ☆17Dec 5, 2024Updated last year
- BitBIRCH clustering algorithm☆122Oct 21, 2025Updated 5 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.
- Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics☆18Aug 14, 2024Updated last year
- ☆21Dec 17, 2025Updated 3 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Plausibility checks for generated molecule poses.☆363Mar 7, 2026Updated 2 weeks ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆32Oct 23, 2025Updated 5 months ago
- Simple User-Friendly Reaction Format☆18Oct 22, 2024Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆32May 17, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- fastsolv python package, website, and paper code☆40Aug 27, 2025Updated 6 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆228Jan 20, 2026Updated 2 months ago
- Open-source protein-based pharmacophore modeling software☆37Feb 15, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Mar 17, 2026Updated last week
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Nov 20, 2025Updated 4 months ago