☆18May 1, 2026Updated 2 months ago
Alternatives and similar repositories for chopdock
Users that are interested in chopdock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- Simulating protein interactions with organometallic ligands using Universal Model of Atoms (UMA)☆15Apr 13, 2026Updated 3 months ago
- Open-source online virtual screening tools for large databases☆48Mar 11, 2026Updated 4 months ago
- Generate Simple Pharmacophore Models with RDKit☆48Mar 10, 2026Updated 4 months ago
- End-to-end ML workflow based on the talk I gave in CHE596.☆12Jul 26, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- ai_in_chemistry_workshop☆80Sep 16, 2024Updated last year
- ☆14Sep 18, 2023Updated 2 years ago
- Boltz-1/2 with restraint-guided inference (Ligand Conformer Restraint and Distance Restraint)☆19Updated this week
- ☆47Apr 24, 2026Updated 2 months ago
- Experiments for the method comparison paper.☆40Oct 3, 2025Updated 9 months ago
- Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...☆39May 19, 2026Updated last month
- PyChem-Pro: a flexible programmable, fast molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics library, molecular…☆217Jul 8, 2026Updated last week
- ☆13Jul 25, 2025Updated 11 months 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.
- Ligand-Protein Interaction Mapping☆81Mar 31, 2026Updated 3 months ago
- LillyMol Public Code☆17Updated this week
- ☆20Dec 5, 2024Updated last year
- Virtual Medicinal Chemist, SAR reasoning☆34Jun 9, 2026Updated last month
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- Benchmarking tools and analysis scripts for processing and evaluating structural data from the OpenBind EV-A71 2A dataset☆48May 21, 2026Updated last month
- ☆18Jun 11, 2026Updated last month
- Molecular filtering for drug discovery.☆75May 19, 2025Updated last year
- ☆14May 15, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python tool for combining steric maps and buried-volume figures with publication-ready molecular graphics rendering from xyzrender.☆30Jun 28, 2026Updated 2 weeks ago
- PyLipidParse is a lightweight Python library for converting standard lipid notation into RDKit and SMILES representations.☆21Apr 9, 2026Updated 3 months ago
- MAGPIE☆17May 5, 2024Updated 2 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆21Sep 25, 2024Updated last year
- A collection of PyMOL plugins to visualize atomic bonds.☆22Sep 2, 2020Updated 5 years ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆91Apr 7, 2026Updated 3 months ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆51Mar 23, 2026Updated 3 months ago
- BitBIRCH clustering algorithm☆130Oct 21, 2025Updated 8 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆19Apr 13, 2026Updated 3 months ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- ☆26Jun 2, 2026Updated last month
- 💠 A streamlined worfklow for Principal Component Analysis of molecular dynamics in PyMOL☆33Jun 13, 2026Updated last month
- ☆50Jun 15, 2026Updated 3 weeks ago
- Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dat…☆34Updated this week
- Tokenizing Loops of Antibodies☆35Nov 23, 2025Updated 7 months ago