Cheminformatics formulae for the Homebrew package manager
☆21Mar 30, 2018Updated 8 years ago
Alternatives and similar repositories for homebrew-cheminformatics
Users that are interested in homebrew-cheminformatics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecule Validation and Standardization☆184Apr 16, 2020Updated 6 years ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- ☆12Aug 30, 2018Updated 7 years ago
- Quantifying the nativeness of antibody sequences using long short-term memory networks☆18Dec 17, 2021Updated 4 years ago
- A simple web GUI for DeepChem☆64Nov 27, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- CueMol: Molecular Visualization Framework☆18Updated this week
- Hierarchical Dirichlet Process (with Split-Merge Operations), originally by Chong Wang☆18Oct 12, 2013Updated 12 years ago
- This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Per…☆11Aug 2, 2018Updated 7 years ago
- Model Discrete Parameters In Stan☆11Dec 13, 2017Updated 8 years ago
- ☆23Jul 4, 2021Updated 4 years ago
- ☆25Jan 4, 2024Updated 2 years ago
- SMILES Toolkit☆25Jul 9, 2025Updated 9 months ago
- Inner- and Outer Recursive Neural Networks for Chemoinformatics☆32Jun 27, 2021Updated 4 years ago
- Machine learning models for antibody sequences in PyTorch☆41May 25, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Deep Learning Method to Identify Cancer Associated TCRs☆46Aug 2, 2022Updated 3 years ago
- libChEBIpy: a Python API for accessing the ChEBI database☆25Aug 26, 2025Updated 7 months ago
- Emacs compilation-mode based support for python 3.6+ Type Hint Checking using mypy☆12Apr 27, 2018Updated 7 years ago
- Comparison of single cell normalization strategies☆11Aug 13, 2021Updated 4 years ago
- A web application framework for analysis and visualization of High throughput Sequencing metagenomic data☆10Nov 21, 2016Updated 9 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Oct 27, 2021Updated 4 years ago
- deTS☆18Apr 21, 2020Updated 5 years ago
- ☆17Apr 28, 2020Updated 5 years ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆10Jul 22, 2015Updated 10 years ago
- (Find My Tab) A Chrome Extension that fights with too many tabs.☆10Aug 15, 2025Updated 8 months ago
- Graph Nets in pytorch☆28Dec 8, 2022Updated 3 years ago
- A visualization software for antibody multi sequence alignment☆22Jun 15, 2024Updated last year
- ☆13Jun 22, 2017Updated 8 years ago
- imNet: a Sequence Network Construction Toolkit☆20Jul 7, 2020Updated 5 years ago
- Visualising what each LSTM cell learns from data.☆24Jan 26, 2020Updated 6 years ago
- Chemical Information from the Web☆181Feb 27, 2026Updated last month
- Groovy Cheminformatics with the Chemistry Development Kit☆46Dec 8, 2025Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Backend for Codecov reporting of coverage☆14Sep 2, 2021Updated 4 years ago
- ☆12Mar 18, 2026Updated 3 weeks ago
- Import/Export routines for MALDIquant☆12Oct 20, 2025Updated 5 months ago
- Molecular-GAT☆21May 30, 2018Updated 7 years ago
- ☆22Apr 10, 2025Updated last year
- GraphBio: a shiny web app to easily perform popular visualization analysis for omics data☆33Jul 14, 2023Updated 2 years ago
- Tools for examining the causal structure of artificial neural networks with information theory☆24Oct 28, 2020Updated 5 years ago