Large scale chemical space visualization using BBLean clustering based linear maps.
☆30Sep 18, 2026Updated last month
Alternatives and similar repositories for NAMI
Users that are interested in NAMI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Nov 24, 2024Updated last year
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆14Apr 23, 2025Updated last year
- targeted undersampling strategy for DEL☆15Sep 22, 2025Updated last year
- ☆23Jul 10, 2026Updated 4 months ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆25Oct 27, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆133Updated this week
- ☆45Mar 18, 2022Updated 4 years ago
- BitBIRCH clustering algorithm☆134Oct 21, 2025Updated last year
- Cheminformatics package from the Miranda-Quintana group☆23Sep 23, 2026Updated last month
- protein structure prediction with precision☆29May 14, 2024Updated 2 years ago
- Tutorial for the OpenADMET-PXR blind challenge☆12Jul 23, 2026Updated 3 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆65Nov 12, 2025Updated last year
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- NISQ Quantum Simulation toolkit- JAX-Native.☆19Updated this week
- 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.
- ☆14Jul 6, 2023Updated 3 years ago
- ☆35Jul 27, 2026Updated 3 months ago
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆43Oct 22, 2026Updated 3 weeks ago
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆19Apr 24, 2026Updated 6 months ago
- Python tool for combining steric maps and buried-volume figures with publication-ready molecular graphics rendering from xyzrender.☆32Nov 7, 2026Updated last week
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- MCP server that enables language models to interact with RDKit through natural language☆48May 4, 2026Updated 6 months ago
- ANNalog package☆28Aug 27, 2026Updated 2 months ago
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Nov 5, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆171May 9, 2026Updated 6 months ago
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated last month
- ☆31Mar 9, 2026Updated 8 months ago
- Some useful RDKit functions☆244Oct 15, 2026Updated last month
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- ☆28Jun 2, 2026Updated 5 months ago
- rdkit scripts making life easier☆82Nov 4, 2026Updated last week
- Tutorial for the OpenADMET CYP blind challenge☆12Nov 1, 2026Updated last week
- Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dat…☆46Nov 3, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆15Jul 26, 2026Updated 3 months ago
- Tutorial for the ExpansionRx-OpenADMET blind challenge☆15Dec 9, 2025Updated 11 months ago
- ExplainBind: Explainable Physicochemical Determinants of Protein–Ligand Binding via Non-Covalent Interactions☆14Mar 6, 2026Updated 8 months ago
- ☆28Jul 3, 2024Updated 2 years ago
- ☆57Nov 24, 2022Updated 3 years ago
- ☆16Jun 23, 2025Updated last year
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
Are these results useful?