Bokeh extensions to plot molecules easily
☆10Jul 14, 2025Updated 9 months ago
Alternatives and similar repositories for bokehmol
Users that are interested in bokehmol 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
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆22Aug 30, 2025Updated 8 months ago
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data☆25Jan 21, 2024Updated 2 years ago
- 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.
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 2 months ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆27Aug 18, 2024Updated last year
- Fully automated high-throughput MD pipeline☆89Mar 11, 2026Updated last month
- Fully automated docking pipeline (can be run in distributed environments)☆58Updated this week
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 2 months ago
- ☆19Jul 18, 2024Updated last year
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆15Jan 16, 2026Updated 3 months ago
- ☆12Jun 14, 2025Updated 10 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.
- ☆11Jul 30, 2025Updated 9 months ago
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated 11 months ago
- ☆14Oct 23, 2024Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆32Jul 29, 2025Updated 9 months ago
- A Pipeline for LC-MS/MS Metabolomics Data Process and Analysis☆15Updated this week
- Benchmarking deep learning models generating molecules in 3D☆18Apr 12, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆21Aug 16, 2019Updated 6 years ago
- ☆20Sep 13, 2024Updated last year
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated 2 months ago
- ☆13Oct 6, 2024Updated last year
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago
- ☆59Feb 17, 2026Updated 2 months ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated 2 years ago
- Public version for DistPepFold☆10Jul 17, 2025Updated 9 months ago
- 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.
- ☆14Jul 4, 2023Updated 2 years ago
- A python package for chemical space visualization.☆152Apr 6, 2026Updated 3 weeks ago
- Biosynthesis Navigator for Natural Products☆56Jul 4, 2022Updated 3 years ago
- ☆32Updated this week
- Molecular filtering for drug discovery.☆73May 19, 2025Updated 11 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- ☆19Sep 4, 2025Updated 8 months ago