CReM: chemically reasonable mutations framework
☆268Mar 17, 2026Updated last month
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…☆233Apr 21, 2026Updated last week
- A package to identify matched molecular pairs and use them to predict property changes.☆283Jan 25, 2026Updated 3 months ago
- A script to run structural alerts using the RDKit and ChEMBL☆166Feb 17, 2026Updated 2 months ago
- active learning for accelerated high-throughput virtual screening☆204Jun 15, 2024Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆497Apr 27, 2026Updated last week
- 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.
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 8 months ago
- Some useful RDKit functions☆228Updated this week
- A tool for retrosynthetic planning☆822Apr 13, 2026Updated 3 weeks ago
- 3D pharmacophore signatures and fingerprints☆113May 8, 2025Updated 11 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆992Apr 27, 2026Updated last week
- Descriptor computation(chemistry) and (optional) storage for machine learning☆278Oct 26, 2024Updated last year
- Fully automated high-throughput MD pipeline☆89Mar 11, 2026Updated last month
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆141Nov 10, 2025Updated 5 months ago
- Refined and extended version of ChemTS☆121Apr 5, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- ☆373May 24, 2025Updated 11 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆206Apr 10, 2026Updated 3 weeks ago
- Interactive molecule viewer for 2D structures☆253Dec 27, 2025Updated 4 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- MoleculeKit: Your favorite molecule manipulation kit☆235Apr 27, 2026Updated last week
- Open Drug Discovery Toolkit☆461Dec 13, 2022Updated 3 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆47Jan 17, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Explainer for black box models that predict molecule properties☆349Apr 1, 2026Updated last month
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆839May 17, 2025Updated 11 months ago
- ☆48Oct 8, 2020Updated 5 years ago
- ChEMBL database structure pipelines☆238Nov 24, 2025Updated 5 months ago
- add-on to plotly which show molecule images on mouseover!☆263Mar 17, 2026Updated last month
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆333Jul 20, 2021Updated 4 years ago
- ☆38Jan 8, 2021Updated 5 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- Kinase-focused fragment library☆69Jan 28, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Baselines models for GuacaMol benchmarks☆144Feb 16, 2024Updated 2 years ago
- Extracting medicinal chemistry intuition via preference machine learning☆119Oct 31, 2023Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆29Apr 26, 2026Updated last week
- Benchmarks for generative chemistry☆518Feb 11, 2024Updated 2 years ago
- ☆97Aug 23, 2024Updated last year
- Molecular Processing Made Easy.☆534Jun 10, 2024Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago