ML-based ligand generator
☆23May 8, 2026Updated 3 months ago
Alternatives and similar repositories for LigandForge
Users that are interested in LigandForge are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Dec 25, 2025Updated 7 months ago
- Longxing Cao's Contact Molecular Surface without pyrosetta☆15May 24, 2026Updated 3 months ago
- Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.☆19Jul 21, 2026Updated last month
- ANNalog package☆24Jul 12, 2026Updated last month
- Code for GP-MoLFormer + pair-tuning☆18Sep 18, 2025Updated 11 months ago
- 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.
- Modelling protein conformational landscape with Alphafold☆61Aug 29, 2025Updated 11 months ago
- NMT based SMILES to IUPAC Translator☆20Jul 16, 2025Updated last year
- This repo contains the results data for Round 1 of Adaptyv Bio’s EGFR Protein Design Competition.☆37Dec 12, 2024Updated last year
- ☆24Aug 18, 2025Updated last year
- Biomolecular design by sampling from generative models☆51Updated this week
- Repository for Q and Q-FEP modules☆27Updated this week
- ☆14Mar 31, 2026Updated 4 months ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆65Aug 11, 2026Updated last week
- ☆27May 16, 2026Updated 3 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆57Jan 15, 2026Updated 7 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 8 months ago
- ☆72Updated this week
- ☆40Feb 20, 2026Updated 6 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆20Updated this week
- ☆19Jun 27, 2024Updated 2 years ago
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆24Aug 11, 2026Updated last week
- ☆27Jun 29, 2025Updated last year
- Guide Your Design and Engineering☆35Jun 2, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- ☆15Mar 5, 2026Updated 5 months ago
- Next generation machine learning force field on enzymatic catalysis☆17Updated this week
- ☆57Apr 24, 2026Updated 3 months ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆36Dec 10, 2025Updated 8 months ago
- ☆21Jun 2, 2026Updated 2 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆34Jun 9, 2026Updated 2 months ago
- ☆23Oct 2, 2024Updated last year
- ☆55May 29, 2026Updated 2 months ago
- 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.
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆19Jun 3, 2025Updated last year
- A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters☆104Jul 28, 2026Updated 3 weeks ago
- Humanness of de-novo designed proteins☆47May 19, 2025Updated last year
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- PyMolAI provides Agentic interface to PyMol workflows, built on top of Open Source version of PyMol.☆163Feb 23, 2026Updated 6 months ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆23Feb 23, 2026Updated 6 months ago