☆12Jun 14, 2025Updated 9 months ago
Alternatives and similar repositories for MROT
Users that are interested in MROT 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 17, 2020Updated 5 years ago
- Leveraging AlgebraicJulia to provide an interface for scientists to explore spaces of models.☆12Oct 30, 2023Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆10Jun 14, 2025Updated 9 months ago
- ☆27May 24, 2023Updated 2 years 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.
- PoseX: A Molecular Docking Benchmark☆71Updated this week
- ☆13Oct 9, 2024Updated last year
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 8 months ago
- ☆96Jun 14, 2025Updated 9 months ago
- ☆28Mar 16, 2023Updated 3 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Aug 18, 2024Updated last year
- ☆11Jul 30, 2025Updated 7 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 2 years ago
- ☆14Oct 23, 2024Updated last year
- kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.☆62Feb 25, 2025Updated last year
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆30Sep 30, 2025Updated 5 months ago
- ☆13Oct 6, 2024Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆43Mar 10, 2025Updated last year
- A multi-model framework for blood-brain barrier permeability discovery☆18Jun 6, 2022Updated 3 years ago
- ☆18Jun 14, 2025Updated 9 months ago
- Run vLLM on Amazon Sagemaker☆27Jul 19, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Aug 6, 2025Updated 7 months ago
- ☆19Sep 4, 2025Updated 6 months ago
- ☆15Apr 14, 2023Updated 2 years ago
- ☆10Apr 20, 2022Updated 3 years ago
- ☆49Oct 8, 2020Updated 5 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated 11 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated last year
- Computer-aided synthesis planning☆47Updated this week
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆18Feb 2, 2026Updated last month
- ☆15Mar 4, 2019Updated 7 years ago
- ☆65Jun 14, 2025Updated 9 months ago
- A quantitative benchmark and analysis of molecular large language models.☆18Jun 3, 2025Updated 9 months ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Feb 27, 2025Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated last month
- ☆56Apr 7, 2024Updated last year