Top open source software from the top 50 pharmaceutical companies
☆71Jun 9, 2024Updated last year
Alternatives and similar repositories for top-pharma50
Users that are interested in top-pharma50 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆16Jan 27, 2025Updated last year
- Top Life Sciences open-source software☆20Jun 9, 2024Updated last year
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated 11 months ago
- A Python package for processing molecules with RDKit in scikit-learn☆217Updated this week
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆53Mar 10, 2025Updated 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.
- Experiments for the method comparison paper.☆38Oct 3, 2025Updated 5 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- A foundational package for molecular predictive modelling☆94Oct 16, 2024Updated last year
- Python implementation of common ADME properties.☆37Mar 27, 2023Updated 3 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆23Feb 1, 2022Updated 4 years ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆14Nov 27, 2023Updated 2 years ago
- 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
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementations of different GNNs from scratch for chemists☆164Feb 26, 2026Updated last month
- ☆14Jan 30, 2025Updated last year
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆11Sep 6, 2024Updated last year
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- ☆93Aug 23, 2024Updated last year
- ☆14Jul 5, 2022Updated 3 years ago
- ☆51Mar 24, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆33Dec 26, 2024Updated last year
- ☆103Feb 15, 2024Updated 2 years ago
- Foster the development of impactful AI models in drug discovery.☆140Aug 22, 2025Updated 7 months ago
- ☆12Jul 3, 2021Updated 4 years ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated 10 months ago
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 4 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Apr 1, 2025Updated 11 months ago
- LillyMol Public Code☆132Aug 28, 2025Updated 6 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Modeling Tanimoto distributions for RDKit☆18Feb 28, 2020Updated 6 years ago
- Diffusion-based molecule conformer generation☆46Apr 22, 2024Updated last year
- ☆36Jul 10, 2025Updated 8 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆48Jul 23, 2025Updated 8 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year