CReM: chemically reasonable mutations framework
☆284Aug 28, 2026Updated this week
Alternatives and similar repositories for crem
Users that are interested in crem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 4 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆300Jun 3, 2026Updated 2 months ago
- A script to run structural alerts using the RDKit and ChEMBL☆172Feb 17, 2026Updated 6 months ago
- active learning for accelerated high-throughput virtual screening☆213Jun 15, 2024Updated 2 years ago
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Interaction Fingerprints for protein-ligand complexes and more☆536Aug 1, 2026Updated last month
- Some useful RDKit functions☆237Updated this week
- A tool for retrosynthetic planning☆884Apr 13, 2026Updated 4 months ago
- 3D pharmacophore signatures and fingerprints☆118May 8, 2025Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,058Updated this week
- Descriptor computation(chemistry) and (optional) storage for machine learning☆281Oct 26, 2024Updated last year
- ☆40Feb 20, 2026Updated 6 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆144Nov 10, 2025Updated 9 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆207Jun 28, 2026Updated 2 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.
- Refined and extended version of ChemTS☆124Jul 30, 2026Updated last month
- Deep generative models of voxel grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- ☆377May 24, 2025Updated last year
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 8 months ago
- Open Drug Discovery Toolkit☆470Dec 13, 2022Updated 3 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆240Updated this week
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- Simple package for fast molecular similarity searches☆176Jul 16, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆48Jan 17, 2024Updated 2 years ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆862May 17, 2025Updated last year
- Explainer for black box models that predict molecule properties☆355Apr 1, 2026Updated 5 months ago
- ☆51Oct 8, 2020Updated 5 years ago
- ChEMBL database structure pipelines☆248Nov 24, 2025Updated 9 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 6 months ago
- add-on to plotly which show molecule images on mouseover!☆263Mar 17, 2026Updated 5 months ago
- ☆38Jan 8, 2021Updated 5 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 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.
- Extracting medicinal chemistry intuition via preference machine learning☆121Aug 19, 2026Updated 2 weeks ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated 2 months ago
- ☆102Aug 23, 2024Updated 2 years ago
- Benchmarks for generative chemistry☆531Feb 11, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Jul 24, 2026Updated last month
- Baselines models for GuacaMol benchmarks☆145Feb 16, 2024Updated 2 years ago