Plugin to show molecule images on mouseover using RDKit and Altair
☆11May 15, 2024Updated 2 years ago
Alternatives and similar repositories for altmol
Users that are interested in altmol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated 3 weeks ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆31Feb 17, 2025Updated last year
- ☆18Sep 16, 2024Updated 2 years ago
- Computer-aided synthesis planning☆60Updated this week
- Cheminformatics package from the Miranda-Quintana group☆23Sep 23, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- ☆15Jan 21, 2025Updated last year
- Creating machine learning algorithms from scratch☆19Apr 15, 2025Updated last year
- ☆10Jul 29, 2025Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆44Apr 5, 2024Updated 2 years ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆25Dec 20, 2024Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Library for processing molecules and reactions in python way☆56Updated this week
- ☆33May 25, 2026Updated 5 months 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.
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Oct 22, 2026Updated 2 weeks ago
- gpu implementation mopac☆16Updated this week
- ☆13May 24, 2026Updated 5 months ago
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 5 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 3 years ago
- Molecule Sketcher and Fast Parsing of Multiple Compounds to Tables with Y-label Annotation and Name. Even Images to SMIlLES conversion 🧪☆12Jul 16, 2025Updated last year
- Python package for InfoAlign☆13Oct 14, 2024Updated 2 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- ☆71Mar 16, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆18Jun 25, 2024Updated 2 years ago
- 2D Protein-Ligand Interaction Generator with PLIP output☆10Sep 7, 2025Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆22Sep 11, 2026Updated last month
- ☆37Feb 20, 2026Updated 8 months ago
- ☆14Jul 15, 2024Updated 2 years ago
- ☆16Oct 27, 2024Updated 2 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated 2 years ago
- AI Agents on 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.
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 8 months ago
- Precedent-based framework for evaluating reaction chemical plausibility☆20Sep 28, 2026Updated last month
- A Python package that uses stratified sampling to sample the chemical space around different chemical Series.☆12Sep 19, 2026Updated last month
- ☆13Nov 25, 2024Updated last year
- Toolkit for large scale ADMET modelling☆31Nov 2, 2026Updated last week
- ☆11Jan 26, 2026Updated 9 months ago
- From Millions to Hits: A Practical HTVS Workflow☆19Sep 6, 2026Updated 2 months ago
Are these results useful?