☆41Feb 28, 2022Updated 4 years ago
Alternatives and similar repositories for PRosettaC
Users that are interested in PRosettaC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆20Jul 14, 2022Updated 4 years ago
- ☆13Jul 11, 2023Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆36May 4, 2022Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Codes to use funnel-metadynamics and funnel metadynamics automated protocol☆31Dec 19, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 5 years ago
- ☆69Oct 11, 2022Updated 3 years ago
- ☆24Jan 16, 2024Updated 2 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- ☆16Jun 11, 2021Updated 5 years ago
- a VMD plugin for binding affinity prediction using end-point free energy methods☆29Apr 23, 2016Updated 10 years ago
- ☆137Nov 6, 2022Updated 3 years ago
- ☆17Jan 5, 2024Updated 2 years ago
- ☆18Mar 13, 2024Updated 2 years 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.
- ☆67Mar 14, 2023Updated 3 years ago
- ☆15Jun 19, 2026Updated last month
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 8 years ago
- ☆37Jun 10, 2025Updated last year
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆19Jun 3, 2025Updated last year
- MD trajectory analysis using protein-ligand Interaction Fingerprints☆77Sep 23, 2025Updated 10 months ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆11Aug 5, 2020Updated 6 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆17Feb 4, 2025Updated last year
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 3 weeks ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated 10 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Oct 24, 2023Updated 2 years ago
- ☆14Jun 4, 2021Updated 5 years ago
- ☆27Mar 11, 2022Updated 4 years ago
- Machine learning-driven antibody design☆63Jul 5, 2023Updated 3 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.
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆13Dec 1, 2025Updated 8 months ago
- ☆27Feb 16, 2022Updated 4 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Advanced toolkit for binding free energy calculations☆36Sep 2, 2025Updated 11 months ago
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆193Feb 7, 2022Updated 4 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year