☆24Mar 9, 2026Updated last month
Alternatives and similar repositories for AEV-PLIG
Users that are interested in AEV-PLIG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆28Feb 27, 2026Updated 2 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆18Jun 14, 2024Updated last year
- Graphical Representation of Ancestral Sequence Predictions☆13Mar 6, 2023Updated 3 years ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)☆16May 3, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- a library for massive analyses of internal voids in biomolecules and ligand transport through them☆10Apr 24, 2026Updated last week
- Free Parametrization for Small Molecules☆53Feb 18, 2026Updated 2 months ago
- ☆46Dec 30, 2025Updated 4 months ago
- fuses molecular language and graph representation for property prediction☆23Jun 1, 2024Updated last year
- ☆21May 28, 2025Updated 11 months ago
- ☆71Jul 19, 2023Updated 2 years ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated 2 years ago
- Pipeline converting PDB files to docking-ready PDBQT format☆21Apr 23, 2025Updated last year
- Set up relative free energy calculations using a common scaffold☆24Apr 21, 2026Updated 2 weeks ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated last month
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆215Apr 13, 2026Updated 3 weeks ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆46Jun 24, 2025Updated 10 months ago
- ☆22Apr 20, 2025Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- ☆10Oct 31, 2025Updated 6 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆45Oct 2, 2025Updated 7 months ago
- Code for the paper "Learning to engineer protein flexibility".☆23Mar 24, 2026Updated last month
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆171Apr 29, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆18Dec 23, 2024Updated last year
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated last month
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated 11 months ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆20Oct 21, 2025Updated 6 months ago
- ☆23May 15, 2019Updated 6 years ago
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Nov 25, 2025Updated 5 months ago
- ☆24May 19, 2025Updated 11 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆116Feb 9, 2026Updated 2 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.
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆18Jun 19, 2025Updated 10 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Statistical Analysis of Docking Results and Scoring functions☆21Feb 22, 2026Updated 2 months ago
- ☆36Mar 26, 2026Updated last month
- ☆18Sep 15, 2025Updated 7 months ago
- ☆41May 22, 2024Updated last year
- ☆10Jun 28, 2025Updated 10 months ago