☆21Sep 29, 2026Updated last month
Alternatives and similar repositories for P4ward
Users that are interested in P4ward are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆13Mar 12, 2026Updated 7 months ago
- ☆39Jan 8, 2021Updated 5 years ago
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆20Jun 3, 2025Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆37May 4, 2022Updated 4 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆45Jul 17, 2025Updated last year
- 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.
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- ☆19Sep 30, 2025Updated last year
- ☆61May 9, 2025Updated last year
- ☆101Feb 24, 2025Updated last year
- ☆26Updated this week
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆17Oct 29, 2025Updated last year
- ☆60Nov 29, 2025Updated 11 months ago
- ☆23Oct 2, 2024Updated 2 years 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.
- ☆20Sep 14, 2022Updated 4 years ago
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- Datagrok repository for ADMET property evaluation☆39Sep 8, 2026Updated last month
- ☆17Feb 8, 2024Updated 2 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- ☆40Jun 10, 2025Updated last year
- gromacs(Protein-Ligand Complex)☆11Sep 20, 2022Updated 4 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆91Sep 2, 2025Updated last year
- 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.
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆39Oct 2, 2023Updated 3 years ago
- Deep Learning for Molecular Property Prediction in the Foundation Model Era☆16May 6, 2026Updated 5 months ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆24Feb 20, 2025Updated last year
- GPU-accelerated molecular docking studio for macOS☆16May 11, 2026Updated 5 months ago
- ☆22Oct 3, 2026Updated 3 weeks ago
- ☆38Mar 26, 2026Updated 7 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆97Mar 31, 2026Updated 6 months ago
- ☆20Nov 12, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆20Jul 14, 2022Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆67Oct 21, 2026Updated last week
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆34Mar 14, 2026Updated 7 months ago
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago
- ☆10Apr 24, 2025Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆36May 10, 2025Updated last year